2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide

C18H19N3O3S — CID 27335104

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H19N3O3S/c1-3-17-20-15-9-4-5-10-16(15)21(17)12-18(22)19-13-7-6-8-14(11-13)25(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyIDRAFIITECRNNR-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide

2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 27335104) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID27335104
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H19N3O3S/c1-3-17-20-15-9-4-5-10-16(15)21(17)12-18(22)19-13-7-6-8-14(11-13)25(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyIDRAFIITECRNNR-UHFFFAOYSA-N
XLogP2.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55705772
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39673621
N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39669326
N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 25442102
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34641233
2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3642390
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036
N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 40723945

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide (CID 27335104) is 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide is CCc1nc2ccccc2n1CC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is IDRAFIITECRNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-17-20-15-9-4-5-10-16(15)21(17)12-18(22)19-13-7-6-8-14(11-13)25(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 27335104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).