4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

C23H28N4O4S — CID 55736735

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H28N4O4S/c1-15(17-10-13-20-21(14-17)26-23(29)25-20)24-22(28)16-8-11-19(12-9-16)32(30,31)27(2)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyOWUXPHQOYBJSFG-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.30
Rot. Bonds6

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (PubChem CID 55736735) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
PubChem CID55736735
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H28N4O4S/c1-15(17-10-13-20-21(14-17)26-23(29)25-20)24-22(28)16-8-11-19(12-9-16)32(30,31)27(2)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyOWUXPHQOYBJSFG-UHFFFAOYSA-N
XLogP3.30
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 95289715
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382
2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 64822344
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944484
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670
N-(1-aminohexan-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119667060
4-[cyclohexyl(methyl)sulfamoyl]-N-(1-thiophen-2-ylpropyl)benzamide
CID 55908392
N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55736204

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (CID 55736735) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is CC(NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The InChIKey is OWUXPHQOYBJSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-15(17-10-13-20-21(14-17)26-23(29)25-20)24-22(28)16-8-11-19(12-9-16)32(30,31)27(2)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide has a molecular weight of 456.57 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 55736735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).