N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide

C20H30N4O3S — CID 46666978

IUPACN-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C1CCCCC1
InChIInChI=1S/C20H30N4O3S/c1-22(2)28(26,27)16-10-11-18-17(14-16)21-19(24(18)4)12-13-20(25)23(3)15-8-6-5-7-9-15/h10-11,14-15H,5-9,12-13H2,1-4H3
InChIKeyKIAGRIVMMXZOOM-UHFFFAOYSA-N
MW406.55 g/mol
LogP2.55
Rot. Bonds6

About N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide

N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide (PubChem CID 46666978) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
PubChem CID46666978
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC NameN-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C1CCCCC1
InChIInChI=1S/C20H30N4O3S/c1-22(2)28(26,27)16-10-11-18-17(14-16)21-19(24(18)4)12-13-20(25)23(3)15-8-6-5-7-9-15/h10-11,14-15H,5-9,12-13H2,1-4H3
InChIKeyKIAGRIVMMXZOOM-UHFFFAOYSA-N
XLogP2.55
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 25388557
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55902542
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25388498
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 129414976
N,N,1-trimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)benzimidazole-5-sulfonamide
CID 119401535
N-[(3,4-difluorophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 55558387
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 27780653
2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 41363685
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-ethylphenyl)propanamide
CID 24635105
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 24615493

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide (CID 46666978) is N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide is CN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide?
The InChIKey is KIAGRIVMMXZOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-22(2)28(26,27)16-10-11-18-17(14-16)21-19(24(18)4)12-13-20(25)23(3)15-8-6-5-7-9-15/h10-11,14-15H,5-9,12-13H2,1-4H3.
What are the key properties of N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide?
N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide has a molecular weight of 406.55 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 46666978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).