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U4I

Summary
Name:N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide
Formula:C19 H21 F2 N3 O4 S
Formal charge:0
Formula weight:425.45 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide
OpenEye OEToolkits2.0.7~{N}-(3-acetamidophenyl)-2-[[3-[bis(fluoranyl)methyl]-5-methyl-phenyl]sulfonyl-methyl-amino]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N(C)CC(=O)Nc1cccc(NC(C)=O)c1)c1cc(C)cc(c1)C(F)F
InChIInChI1.06InChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyInChI1.06MYNNHYIXRANCAX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(CC(=O)Nc1cccc(NC(C)=O)c1)[S](=O)(=O)c2cc(C)cc(c2)C(F)F
SMILESCACTVS3.385CN(CC(=O)Nc1cccc(NC(C)=O)c1)[S](=O)(=O)c2cc(C)cc(c2)C(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(c1)S(=O)(=O)N(C)CC(=O)Nc2cccc(c2)NC(=O)C)C(F)F
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1)S(=O)(=O)N(C)CC(=O)Nc2cccc(c2)NC(=O)C)C(F)F

219869

PDB entries from 2024-05-15

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