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

C23H22N4O3S — CID 55705772

IUPACN-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H22N4O3S/c1-2-22-25-20-13-6-7-14-21(20)27(22)16-23(28)24-17-9-8-10-18(15-17)26-31(29,30)19-11-4-3-5-12-19/h3-15,26H,2,16H2,1H3,(H,24,28)
InChIKeyBEKUSHYVBOKTTN-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.04
Rot. Bonds7

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

N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide (PubChem CID 55705772) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
PubChem CID55705772
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H22N4O3S/c1-2-22-25-20-13-6-7-14-21(20)27(22)16-23(28)24-17-9-8-10-18(15-17)26-31(29,30)19-11-4-3-5-12-19/h3-15,26H,2,16H2,1H3,(H,24,28)
InChIKeyBEKUSHYVBOKTTN-UHFFFAOYSA-N
XLogP4.04
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 27335104
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
2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
CID 1153553
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34641233
N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 25442102
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide (CID 55705772) is N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide is CCc1nc2ccccc2n1CC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The InChIKey is BEKUSHYVBOKTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-2-22-25-20-13-6-7-14-21(20)27(22)16-23(28)24-17-9-8-10-18(15-17)26-31(29,30)19-11-4-3-5-12-19/h3-15,26H,2,16H2,1H3,(H,24,28).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 55705772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).