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A1BJN

Summary
Name:N-(2-acetamido-1,3-thiazole-5-sulfonyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
Formula:C16 H15 Cl2 N3 O4 S2
Formal charge:0
Formula weight:448.344 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(2-acetamido-1,3-thiazole-5-sulfonyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-[(2-acetamido-1,3-thiazol-5-yl)sulfonyl]-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(C)Nc1ncc(s1)S(=O)(=O)NC(=O)C1(CCC1)c1ccc(Cl)c(Cl)c1
InChIInChI1.06InChI=1S/C16H15Cl2N3O4S2/c1-9(22)20-15-19-8-13(26-15)27(24,25)21-14(23)16(5-2-6-16)10-3-4-11(17)12(18)7-10/h3-4,7-8H,2,5-6H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyInChI1.06JCGKTXHAXUYHAU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1sc(cn1)[S](=O)(=O)NC(=O)C2(CCC2)c3ccc(Cl)c(Cl)c3
SMILESCACTVS3.385CC(=O)Nc1sc(cn1)[S](=O)(=O)NC(=O)C2(CCC2)c3ccc(Cl)c(Cl)c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(=O)Nc1ncc(s1)S(=O)(=O)NC(=O)C2(CCC2)c3ccc(c(c3)Cl)Cl
SMILESOpenEye OEToolkits3.1.0.0CC(=O)Nc1ncc(s1)S(=O)(=O)NC(=O)C2(CCC2)c3ccc(c(c3)Cl)Cl

248636

PDB entries from 2026-02-04

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