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T7J

Summary
Name:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
Formula:C13 H15 N O3 S
Formal charge:0
Formula weight:265.328 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
OpenEye OEToolkits2.0.7~{N}-[(3~{R})-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-~{N}-(4-methylphenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O
InChIInChI1.03InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1
InChIKeyInChI1.03PPKLPLWDJXRWSL-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N([C@H]1C[S](=O)(=O)C=C1)c2ccc(C)cc2
SMILESCACTVS3.385CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc(C)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)C

217705

PDB entries from 2024-03-27

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