2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide

C19H21N3O4S — CID 50784564

IUPAC2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O4S/c1-4-13-6-5-7-14(10-13)20-18(23)12-27(25,26)15-8-9-16-17(11-15)22(3)19(24)21(16)2/h5-11H,4,12H2,1-3H3,(H,20,23)
InChIKeyWYFIBYUDVJAEAT-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.85
Rot. Bonds5

About 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide (PubChem CID 50784564) 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-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide
PubChem CID50784564
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O4S/c1-4-13-6-5-7-14(10-13)20-18(23)12-27(25,26)15-8-9-16-17(11-15)22(3)19(24)21(16)2/h5-11H,4,12H2,1-3H3,(H,20,23)
InChIKeyWYFIBYUDVJAEAT-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 50784533
N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784543
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
CID 46377654
N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784522
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784560
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-ethylamino]-N-(3-nitrophenyl)acetamide
CID 19259510
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784526
2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 19259569
N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772327
1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide
CID 49369107

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide (CID 50784564) is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide?
The InChIKey is WYFIBYUDVJAEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-4-13-6-5-7-14(10-13)20-18(23)12-27(25,26)15-8-9-16-17(11-15)22(3)19(24)21(16)2/h5-11H,4,12H2,1-3H3,(H,20,23).
What are the key properties of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide?
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 1.85, 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-(3-ethylphenyl)acetamide is sourced from PubChem (CID 50784564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).