N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide

C17H19N3O3S — CID 110396364

IUPACN-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCn1c(=O)n(CCNS(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H19N3O3S/c1-19-15-9-5-6-10-16(15)20(17(19)21)12-11-18-24(22,23)13-14-7-3-2-4-8-14/h2-10,18H,11-13H2,1H3
InChIKeyQHLSKZZIDQJURL-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.46
Rot. Bonds6

About N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide

N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 110396364) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID110396364
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCn1c(=O)n(CCNS(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H19N3O3S/c1-19-15-9-5-6-10-16(15)20(17(19)21)12-11-18-24(22,23)13-14-7-3-2-4-8-14/h2-10,18H,11-13H2,1H3
InChIKeyQHLSKZZIDQJURL-UHFFFAOYSA-N
XLogP1.46
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110396338
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide
CID 27210910
1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one
CID 115591774
N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 110603181
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
CID 53063314
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide
CID 14152355
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide
CID 110396269
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide (CID 110396364) is N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide is Cn1c(=O)n(CCNS(=O)(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is QHLSKZZIDQJURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-19-15-9-5-6-10-16(15)20(17(19)21)12-11-18-24(22,23)13-14-7-3-2-4-8-14/h2-10,18H,11-13H2,1H3.
What are the key properties of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110396364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).