4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide

C23H22N4O3S — CID 55948832

IUPAC4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1C
InChIInChI=1S/C23H22N4O3S/c1-3-31(29,30)26-20-13-10-18(14-16(20)2)25-23(28)17-8-11-19(12-9-17)27-15-24-21-6-4-5-7-22(21)27/h4-15,26H,3H2,1-2H3,(H,25,28)
InChIKeyCZUSGZGFDRHJLL-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.35
Rot. Bonds6

About 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide

4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide (PubChem CID 55948832) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
PubChem CID55948832
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1C
InChIInChI=1S/C23H22N4O3S/c1-3-31(29,30)26-20-13-10-18(14-16(20)2)25-23(28)17-8-11-19(12-9-17)27-15-24-21-6-4-5-7-22(21)27/h4-15,26H,3H2,1-2H3,(H,25,28)
InChIKeyCZUSGZGFDRHJLL-UHFFFAOYSA-N
XLogP4.35
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
CID 55982018
4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide
CID 60610861
4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 17426076
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55948695
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55947681
N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide (CID 55948832) is 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1C.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The InChIKey is CZUSGZGFDRHJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-3-31(29,30)26-20-13-10-18(14-16(20)2)25-23(28)17-8-11-19(12-9-17)27-15-24-21-6-4-5-7-22(21)27/h4-15,26H,3H2,1-2H3,(H,25,28).
What are the key properties of 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide has a molecular weight of 434.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide is sourced from PubChem (CID 55948832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).