2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide

C19H21N3O4S — CID 94078264

IUPAC2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-13(14-7-5-4-6-8-14)20-18(23)12-27(25,26)15-9-10-16-17(11-15)22(3)19(24)21(16)2/h4-11,13H,12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyNECFOUMZRQOYSP-CYBMUJFWSA-N
MW387.46 g/mol
LogP1.53
Rot. Bonds5

About 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 94078264) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide
PubChem CID94078264
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-13(14-7-5-4-6-8-14)20-18(23)12-27(25,26)15-9-10-16-17(11-15)22(3)19(24)21(16)2/h4-11,13H,12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyNECFOUMZRQOYSP-CYBMUJFWSA-N
XLogP1.53
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide
CID 49295659
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 51053458
methyl (2S)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242310
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 50784533
2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 19259362
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784526
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 26202172
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
CID 94380917
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide (CID 94078264) is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1.
What is the InChIKey of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is NECFOUMZRQOYSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(14-7-5-4-6-8-14)20-18(23)12-27(25,26)15-9-10-16-17(11-15)22(3)19(24)21(16)2/h4-11,13H,12H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide?
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 94078264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).