N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide

C25H23N5O3S — CID 177185192

IUPACN-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3c[nH]c4cc(C)ccc34)n(-c3cccc(NC(C)=O)c3)c2c1
InChIInChI=1S/C25H23N5O3S/c1-15-7-9-20-21(14-27-23(20)11-15)25-29-22-10-8-19(34(32,33)26-3)13-24(22)30(25)18-6-4-5-17(12-18)28-16(2)31/h4-14,26-27H,1-3H3,(H,28,31)
InChIKeyCCBOMGRMDSFPBD-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.35
Rot. Bonds5

About N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide

N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide (PubChem CID 177185192) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide
PubChem CID177185192
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3c[nH]c4cc(C)ccc34)n(-c3cccc(NC(C)=O)c3)c2c1
InChIInChI=1S/C25H23N5O3S/c1-15-7-9-20-21(14-27-23(20)11-15)25-29-22-10-8-19(34(32,33)26-3)13-24(22)30(25)18-6-4-5-17(12-18)28-16(2)31/h4-14,26-27H,1-3H3,(H,28,31)
InChIKeyCCBOMGRMDSFPBD-UHFFFAOYSA-N
XLogP4.35
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide
CID 177185166
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide
CID 177185201
2-(5-chloro-1H-indol-3-yl)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methylbenzimidazole-5-sulfonamide
CID 177185248
N-(3-acetylphenyl)-2-[[5-(1H-indol-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135710399
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(6-methyl-1H-indol-3-yl)-6-(1-methylpyrazol-4-yl)benzimidazole-5-carbaldehyde
CID 177184507
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 2954248
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(5-fluoro-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-sulfonamide
CID 177185335
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
N-(3-methylphenyl)acetamide
CID 10843
N-[4-[4-[3-(methylsulfamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]acetamide
CID 67996775
ethyl 1-[3-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]phenyl]pyrazole-3-carboxylate
CID 55711477

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide (CID 177185192) is N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide is CNS(=O)(=O)c1ccc2nc(-c3c[nH]c4cc(C)ccc34)n(-c3cccc(NC(C)=O)c3)c2c1.
What is the InChIKey of N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide?
The InChIKey is CCBOMGRMDSFPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-15-7-9-20-21(14-27-23(20)11-15)25-29-22-10-8-19(34(32,33)26-3)13-24(22)30(25)18-6-4-5-17(12-18)28-16(2)31/h4-14,26-27H,1-3H3,(H,28,31).
What are the key properties of N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide?
N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide has a molecular weight of 473.56 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 177185192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).