4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

C27H35FN4O3S — CID 123343975

IUPAC4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ncc(C2=CC=C(S(=O)(=O)NC3CCC(C(=O)NC(C)c4ccc(F)cc4)CC3)CC2C)n1C
InChIInChI=1S/C27H35FN4O3S/c1-17-15-24(13-14-25(17)26-16-29-19(3)32(26)4)36(34,35)31-23-11-7-21(8-12-23)27(33)30-18(2)20-5-9-22(28)10-6-20/h5-6,9-10,13-14,16-18,21,23,31H,7-8,11-12,15H2,1-4H3,(H,30,33)
InChIKeyJDYQQEQZPOZPJI-UHFFFAOYSA-N
MW514.67 g/mol
LogP4.53
Rot. Bonds7

About 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 123343975) has the molecular formula C27H35FN4O3S and a molecular weight of 514.67 g/mol. Its IUPAC name is 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID123343975
Molecular FormulaC27H35FN4O3S
Molecular Weight514.67 g/mol
Exact Mass514.24
IUPAC Name4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ncc(C2=CC=C(S(=O)(=O)NC3CCC(C(=O)NC(C)c4ccc(F)cc4)CC3)CC2C)n1C
InChIInChI=1S/C27H35FN4O3S/c1-17-15-24(13-14-25(17)26-16-29-19(3)32(26)4)36(34,35)31-23-11-7-21(8-12-23)27(33)30-18(2)20-5-9-22(28)10-6-20/h5-6,9-10,13-14,16-18,21,23,31H,7-8,11-12,15H2,1-4H3,(H,30,33)
InChIKeyJDYQQEQZPOZPJI-UHFFFAOYSA-N
XLogP4.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 77478029
4-[(1,2-dimethylbenzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 56639932
N-[1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 76743565
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58292025
4-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 58292231
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(6-phenyl-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58291935
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58292066
4-[(4-acetamido-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 53239403
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
4-(9H-fluoren-2-ylsulfonylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 90216895
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1H-indol-5-ylsulfonylamino)cyclohexane-1-carboxamide
CID 58074371
4-[(2-cyclopropyl-1H-indol-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 90096658

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 123343975) is 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is Cc1ncc(C2=CC=C(S(=O)(=O)NC3CCC(C(=O)NC(C)c4ccc(F)cc4)CC3)CC2C)n1C.
What is the InChIKey of 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is JDYQQEQZPOZPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O3S/c1-17-15-24(13-14-25(17)26-16-29-19(3)32(26)4)36(34,35)31-23-11-7-21(8-12-23)27(33)30-18(2)20-5-9-22(28)10-6-20/h5-6,9-10,13-14,16-18,21,23,31H,7-8,11-12,15H2,1-4H3,(H,30,33).
What are the key properties of 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 514.67 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dimethylimidazol-4-yl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 123343975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).