2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

C26H39N3O4S — CID 167573962

IUPAC2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(C)n1-c1ccc(CC(C)C)cc1OC
InChIInChI=1S/C26H39N3O4S/c1-7-24-28-25(26(30)27-16-19-8-11-21(12-9-19)34(6,31)32)18(4)29(24)22-13-10-20(14-17(2)3)15-23(22)33-5/h10,13,15,17,19,21H,7-9,11-12,14,16H2,1-6H3,(H,27,30)
InChIKeyOLYCJCOFTNWOEA-UHFFFAOYSA-N
MW489.68 g/mol
LogP4.28
Rot. Bonds9

About 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 167573962) has the molecular formula C26H39N3O4S and a molecular weight of 489.68 g/mol. Its IUPAC name is 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
PubChem CID167573962
Molecular FormulaC26H39N3O4S
Molecular Weight489.68 g/mol
Exact Mass489.27
IUPAC Name2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(C)n1-c1ccc(CC(C)C)cc1OC
InChIInChI=1S/C26H39N3O4S/c1-7-24-28-25(26(30)27-16-19-8-11-21(12-9-19)34(6,31)32)18(4)29(24)22-13-10-20(14-17(2)3)15-23(22)33-5/h10,13,15,17,19,21H,7-9,11-12,14,16H2,1-6H3,(H,27,30)
InChIKeyOLYCJCOFTNWOEA-UHFFFAOYSA-N
XLogP4.28
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.68
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
CID 153296409
2-ethyl-1-[2-methoxy-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286567
5-cyano-2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 165112388
5-chloro-2-ethyl-1-[2-methoxy-4-(2,2,2-trifluoroethylamino)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286639
5-chloro-1-[2-methoxy-4-(2,2,2-trifluoroethylamino)phenyl]-2-(2-methylpropyl)-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286775
1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-ethyl-5-ethynyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286503
4-chloro-1-ethyl-5-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146287583
1-(4-butyl-2-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-(4-butyl-2-fluorophenyl)-5-chloro-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-2-ethyl-1-[2-fluoro-4-(2-methylpropyl)phenyl]-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-2-ethyl-1-[2-fluoro-4-(2-methylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;2-ethyl-1-(2-fluoro-4-propylphenyl)-4-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4,5-dicarboxamide
CID 167642153
4-chloro-5-[2-methoxy-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-1-propylpyrazole-3-carboxamide
CID 146287617
5-chloro-2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)cyclohexa-1,3-dien-1-yl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286730
carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole
CID 159612303
2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide
CID 153296376

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (CID 167573962) is 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(C)n1-c1ccc(CC(C)C)cc1OC.
What is the InChIKey of 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The InChIKey is OLYCJCOFTNWOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O4S/c1-7-24-28-25(26(30)27-16-19-8-11-21(12-9-19)34(6,31)32)18(4)29(24)22-13-10-20(14-17(2)3)15-23(22)33-5/h10,13,15,17,19,21H,7-9,11-12,14,16H2,1-6H3,(H,27,30).
What are the key properties of 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 489.68 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 167573962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).