3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide

C18H19N3O4S — CID 18139030

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc21
InChIInChI=1S/C18H19N3O4S/c1-20-15-8-3-4-9-16(15)21(18(20)23)11-10-17(22)19-13-6-5-7-14(12-13)26(2,24)25/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyFKHZBNLFPWFVTB-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.77
Rot. Bonds5

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide (PubChem CID 18139030) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
PubChem CID18139030
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc21
InChIInChI=1S/C18H19N3O4S/c1-20-15-8-3-4-9-16(15)21(18(20)23)11-10-17(22)19-13-6-5-7-14(12-13)26(2,24)25/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyFKHZBNLFPWFVTB-UHFFFAOYSA-N
XLogP1.77
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 155946246
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 24559430
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-nitrophenyl)propanamide
CID 16961963
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 38613381
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
CID 9072319
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24531594
[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
CID 42316342
N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592019

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide (CID 18139030) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide is Cn1c(=O)n(CCC(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide?
The InChIKey is FKHZBNLFPWFVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-20-15-8-3-4-9-16(15)21(18(20)23)11-10-17(22)19-13-6-5-7-14(12-13)26(2,24)25/h3-9,12H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide has a molecular weight of 373.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 18139030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).