3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide

C29H24N4O3S — CID 46182680

IUPAC3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C29H24N4O3S/c34-29(31-25-14-16-26(17-15-25)32-19-18-30-22-32)24-10-7-11-27(20-24)33(21-23-8-3-1-4-9-23)37(35,36)28-12-5-2-6-13-28/h1-20,22H,21H2,(H,31,34)
InChIKeyAAVVDJGGPGZYBE-UHFFFAOYSA-N
MW508.60 g/mol
LogP5.52
Rot. Bonds8

About 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide

3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide (PubChem CID 46182680) has the molecular formula C29H24N4O3S and a molecular weight of 508.60 g/mol. Its IUPAC name is 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide
PubChem CID46182680
Molecular FormulaC29H24N4O3S
Molecular Weight508.60 g/mol
Exact Mass508.16
IUPAC Name3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C29H24N4O3S/c34-29(31-25-14-16-26(17-15-25)32-19-18-30-22-32)24-10-7-11-27(20-24)33(21-23-8-3-1-4-9-23)37(35,36)28-12-5-2-6-13-28/h1-20,22H,21H2,(H,31,34)
InChIKeyAAVVDJGGPGZYBE-UHFFFAOYSA-N
XLogP5.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 68619894
3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 160742050
3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide
CID 46182506
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
CID 66715371
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99940421
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 30378303
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-[4-(diethylamino)phenyl]benzamide
CID 2433943
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 99939946
3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
CID 46182236
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30303835
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
CID 1297380

Frequently Asked Questions

What is the IUPAC name of 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide?
The IUPAC name of 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide (CID 46182680) is 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide is O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide?
The InChIKey is AAVVDJGGPGZYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3S/c34-29(31-25-14-16-26(17-15-25)32-19-18-30-22-32)24-10-7-11-27(20-24)33(21-23-8-3-1-4-9-23)37(35,36)28-12-5-2-6-13-28/h1-20,22H,21H2,(H,31,34).
What are the key properties of 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide?
3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide has a molecular weight of 508.60 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide is sourced from PubChem (CID 46182680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).