N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide

C19H23N3O4S — CID 49190359

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(2)12-26-15-6-8-16(9-7-15)27(24,25)20-14-5-10-17-18(11-14)22(4)19(23)21(17)3/h5-11,13,20H,12H2,1-4H3
InChIKeyYAGHBCRCIAJKTI-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.71
Rot. Bonds6

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 49190359) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID49190359
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(2)12-26-15-6-8-16(9-7-15)27(24,25)20-14-5-10-17-18(11-14)22(4)19(23)21(17)3/h5-11,13,20H,12H2,1-4H3
InChIKeyYAGHBCRCIAJKTI-UHFFFAOYSA-N
XLogP2.71
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide 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

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796602
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 2957824
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 6494053
1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 6493637
2,5-dimethoxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 15990073
N-(4-butoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372868
N-(4-Methoxyphenyl)-1,3-dimethyl-2-oxo-1,3-benzodiazole-5-sulfonamide
CID 1093431
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (2-methoxy-phenyl)-amide
CID 1093433
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 6493142
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 6501570

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide (CID 49190359) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is YAGHBCRCIAJKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(2)12-26-15-6-8-16(9-7-15)27(24,25)20-14-5-10-17-18(11-14)22(4)19(23)21(17)3/h5-11,13,20H,12H2,1-4H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 49190359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).