N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C21H18N4O4S — CID 25374262

IUPACN-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1
InChIInChI=1S/C21H18N4O4S/c1-13-3-2-4-16(11-13)22-20(26)14-5-7-15(8-6-14)25-30(28,29)17-9-10-18-19(12-17)24-21(27)23-18/h2-12,25H,1H3,(H,22,26)(H2,23,24,27)
InChIKeyFWTOUHZFLZWPPK-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.22
Rot. Bonds5

About N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 25374262) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID25374262
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1
InChIInChI=1S/C21H18N4O4S/c1-13-3-2-4-16(11-13)22-20(26)14-5-7-15(8-6-14)25-30(28,29)17-9-10-18-19(12-17)24-21(27)23-18/h2-12,25H,1H3,(H,22,26)(H2,23,24,27)
InChIKeyFWTOUHZFLZWPPK-UHFFFAOYSA-N
XLogP3.22
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]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

4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26664033
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
N-(4-bromophenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 37165193
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 24818331
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 26537691
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 24981727
N-[(3-chlorophenyl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46532012
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
CID 2996698
3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 25374262) is N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is FWTOUHZFLZWPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-13-3-2-4-16(11-13)22-20(26)14-5-7-15(8-6-14)25-30(28,29)17-9-10-18-19(12-17)24-21(27)23-18/h2-12,25H,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 422.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 25374262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).