2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide

C20H25N3O4S — CID 135288158

IUPAC2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccc(S(=O)(=O)C3CCCCC3)cc2)nc(C(C)=O)n1C
InChIInChI=1S/C20H25N3O4S/c1-13(24)19-22-17(18(23(19)3)20(25)21-2)14-9-11-16(12-10-14)28(26,27)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,21,25)
InChIKeyZHQMTQULINFVKG-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.76
Rot. Bonds5

About 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide

2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide (PubChem CID 135288158) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide
PubChem CID135288158
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccc(S(=O)(=O)C3CCCCC3)cc2)nc(C(C)=O)n1C
InChIInChI=1S/C20H25N3O4S/c1-13(24)19-22-17(18(23(19)3)20(25)21-2)14-9-11-16(12-10-14)28(26,27)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,21,25)
InChIKeyZHQMTQULINFVKG-UHFFFAOYSA-N
XLogP2.76
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-cyclohexylsulfonylphenyl)-1,3-dimethyl-4-prop-2-enylpyrrol-2-yl]ethanone
CID 135288362
4-cycloheptylsulfonylbenzoic acid
CID 82925823
1-[5-(4-cyclopropylsulfonylphenyl)-4-ethyl-1,3-dimethylpyrrol-2-yl]ethanone
CID 154027719
4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide
CID 100665401
1-[5-(5-cyclohexylsulfonyl-2-pyridinyl)-4-ethyl-1,3-dimethylpyrrol-2-yl]ethanone
CID 135287283
N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
CID 119523127
(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561781
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide
CID 10202808
1-[(E)-1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-3-methylthiourea
CID 95764614
N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39177524
1-tert-butyl-3-[(4-cyclopentylsulfonylphenyl)methyl]urea
CID 110775358

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide?
The IUPAC name of 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide (CID 135288158) is 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide?
The canonical SMILES for 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide is CNC(=O)c1c(-c2ccc(S(=O)(=O)C3CCCCC3)cc2)nc(C(C)=O)n1C.
What is the InChIKey of 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide?
The InChIKey is ZHQMTQULINFVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13(24)19-22-17(18(23(19)3)20(25)21-2)14-9-11-16(12-10-14)28(26,27)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,21,25).
What are the key properties of 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide?
2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-(4-cyclohexylsulfonylphenyl)-N,3-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 135288158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).