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- ChemComp-M25: N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: M25
NameName: N-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamide

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Chemical information

Composition
Formula: C10H14N2O3S / Number of atoms: 30 / Formula weight: 242.295 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: M25
History
Create componentOct 27, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=S(=O)(c1ccc(cc1)CCNC(=O)C)N
CACTVS 3.341CC(=O)NCCc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.5.0CC(=O)NCCc1ccc(cc1)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.341CC(=O)NCCc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.5.0CC(=O)NCCc1ccc(cc1)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)

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InChIKey

InChI 1.03IIMGUEXQORZTID-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-[2-(4-sulfamoylphenyl)ethyl]acetamide
OpenEye OEToolkits 1.5.0N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

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PDB entries

Showing all 6 items

PDB-2nmx:
Structure of inhibitor binding to Carbonic Anhydrase I

PDB-2nns:
Structure of inhibitor binding to Carbonic Anhydrase II

PDB-5r4m:
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000513a

PDB-5r8c:
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z30857828 in complex with INTERLEUKIN-1 BETA

PDB-7ht2:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z30857828

PDB-8b72:
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828

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