A1BKZ

N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

Created:	2024-12-11
Last modified:	2025-05-07

Find Related PDB Entry
1 entries where A1BKZ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	17

2D diagram of A1BKZ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-(methylsulfonylamino)phenyl]-4-phenyl-thiophene-2-carboxamide
Formula	C₁₈ H₁₆ N₂ O₃ S₂
Molecular Weight	372.461
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CS(=O)(=O)Nc1cccc(c1)NC(=O)c1cc(cs1)c1ccccc1
SMILES	CACTVS	3.385	C[S](=O)(=O)Nc1cccc(NC(=O)c2scc(c2)c3ccccc3)c1
SMILES	OpenEye OEToolkits	3.1.0.0	CS(=O)(=O)Nc1cccc(c1)NC(=O)c2cc(cs2)c3ccccc3
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)Nc1cccc(NC(=O)c2scc(c2)c3ccccc3)c1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CS(=O)(=O)Nc1cccc(c1)NC(=O)c2cc(cs2)c3ccccc3
InChI	InChI	1.06	InChI=1S/C18H16N2O3S2/c1-25(22,23)20-16-9-5-8-15(11-16)19-18(21)17-10-14(12-24-17)13-6-3-2-4-7-13/h2-12,20H,1H3,(H,19,21)
InChIKey	InChI	1.06	GMWBWXRCKWTKAO-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.