N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide

C17H17N3O3S — CID 775478

IUPACN-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-8-16-17(9-12(11)2)20(10-18-16)24(22,23)15-6-4-14(5-7-15)19-13(3)21/h4-10H,1-3H3,(H,19,21)
InChIKeyBAAPLUPRPGCAEE-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.85
Rot. Bonds3

About N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide

N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide (PubChem CID 775478) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide
PubChem CID775478
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-8-16-17(9-12(11)2)20(10-18-16)24(22,23)15-6-4-14(5-7-15)19-13(3)21/h4-10H,1-3H3,(H,19,21)
InChIKeyBAAPLUPRPGCAEE-UHFFFAOYSA-N
XLogP2.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-sulfamoylphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 25164661
1-(Toluene-4-sulfonyl)-1H-benzoimidazole
CID 746711
N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
CID 2836732
N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4239327
1-(4-Fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 755179
N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide
CID 122179031
N-(1-benzyl-5,6-dimethyl-1H-1,3-benzimidazol-4-yl)methanesulfonamide
CID 1474155
N-[5,6-dimethyl-1-(2-methylbenzyl)-1H-1,3-benzimidazol-4-yl]methanesulfonamide
CID 1479115
2-(6-Carbamimidoyl-benzoimidazol-1-yl)-N-(2''-sulfamoyl-biphenyl-4-yl)-acetamide
CID 10813359
2-(5-Carbamimidoyl-benzoimidazol-1-yl)-N-(2''-sulfamoyl-biphenyl-4-yl)-acetamide
CID 18800583
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 59177003
N-(3-Acetylamino-phenyl)-3-(5,6-dimethyl-benzoimidazol-1-yl)-propionamide
CID 645626

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide (CID 775478) is N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1.
What is the InChIKey of N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide?
The InChIKey is BAAPLUPRPGCAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-8-16-17(9-12(11)2)20(10-18-16)24(22,23)15-6-4-14(5-7-15)19-13(3)21/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide?
N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 775478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).