N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide

C23H28N4O3S — CID 52655657

IUPACN-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)c1
InChIInChI=1S/C23H28N4O3S/c1-16(2)26-31(29,30)19-12-8-9-17(15-19)22(28)25-23-24-20-13-6-7-14-21(20)27(23)18-10-4-3-5-11-18/h6-9,12-16,18,26H,3-5,10-11H2,1-2H3,(H,24,25,28)
InChIKeyFFLSHJNKADATRU-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.48
Rot. Bonds6

About N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide

N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 52655657) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID52655657
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)c1
InChIInChI=1S/C23H28N4O3S/c1-16(2)26-31(29,30)19-12-8-9-17(15-19)22(28)25-23-24-20-13-6-7-14-21(20)27(23)18-10-4-3-5-11-18/h6-9,12-16,18,26H,3-5,10-11H2,1-2H3,(H,24,25,28)
InChIKeyFFLSHJNKADATRU-UHFFFAOYSA-N
XLogP4.48
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopentylbenzimidazol-2-yl)-2-methylpyridine-4-carboxamide
CID 136538090
4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720
N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732157
N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide
CID 138656728
4-amino-N-(1-cyclohexylbenzimidazol-2-yl)pentanamide;hydrochloride
CID 120560614
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 52655634
(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 96532756

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide (CID 52655657) is N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)c1.
What is the InChIKey of N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is FFLSHJNKADATRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16(2)26-31(29,30)19-12-8-9-17(15-19)22(28)25-23-24-20-13-6-7-14-21(20)27(23)18-10-4-3-5-11-18/h6-9,12-16,18,26H,3-5,10-11H2,1-2H3,(H,24,25,28).
What are the key properties of N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 440.57 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 52655657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).