2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide

C19H22N4O3S — CID 34641233

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C19H22N4O3S/c1-3-18-22-16-9-4-5-10-17(16)23(18)13-19(24)21-12-14-7-6-8-15(11-14)27(25,26)20-2/h4-11,20H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyKUPAHUQBSVPJGN-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.82
Rot. Bonds7

About 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide

2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 34641233) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
PubChem CID34641233
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C19H22N4O3S/c1-3-18-22-16-9-4-5-10-17(16)23(18)13-19(24)21-12-14-7-6-8-15(11-14)27(25,26)20-2/h4-11,20H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyKUPAHUQBSVPJGN-UHFFFAOYSA-N
XLogP1.82
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 52572499
2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 27335104
N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55705772
2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 39619634
(2S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366771
2-(2-ethylbenzimidazol-1-yl)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 55889267
N-ethyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033441
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55899331
N-[(3-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 134051104
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 38971731
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide (CID 34641233) is 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide is CCc1nc2ccccc2n1CC(=O)NCc1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is KUPAHUQBSVPJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-18-22-16-9-4-5-10-17(16)23(18)13-19(24)21-12-14-7-6-8-15(11-14)27(25,26)20-2/h4-11,20H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 34641233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).