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

C19H22N4O4S — CID 26549596

IUPACN-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCC(C)CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H22N4O4S/c1-12(2)9-10-20-18(24)14-5-3-4-6-15(14)23-28(26,27)13-7-8-16-17(11-13)22-19(25)21-16/h3-8,11-12,23H,9-10H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyKTBAIXDUAOXRMX-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.43
Rot. Bonds7

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

N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 26549596) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID26549596
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCC(C)CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H22N4O4S/c1-12(2)9-10-20-18(24)14-5-3-4-6-15(14)23-28(26,27)13-7-8-16-17(11-13)22-19(25)21-16/h3-8,11-12,23H,9-10H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyKTBAIXDUAOXRMX-UHFFFAOYSA-N
XLogP2.43
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-2-[(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

ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
CID 56558807
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 26549583
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
N-[3-[benzyl(methyl)amino]propyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 29239385
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46673539
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657099
N-[2-(azetidine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24658991
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
N-(4-chloro-2-methylphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 52556593
N-(1-methylpyrazol-3-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 25335432
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 25331426
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55535615

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 26549596) is N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CC(C)CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is KTBAIXDUAOXRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-12(2)9-10-20-18(24)14-5-3-4-6-15(14)23-28(26,27)13-7-8-16-17(11-13)22-19(25)21-16/h3-8,11-12,23H,9-10H2,1-2H3,(H,20,24)(H2,21,22,25).
What are the key properties of N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 402.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 26549596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).