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

C26H31FN4O3S — CID 77478029

IUPAC4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cnc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)NC(C)c4ccc(F)cc4)CC3)cc2)n1C
InChIInChI=1S/C26H31FN4O3S/c1-17-16-28-25(31(17)3)20-8-14-24(15-9-20)35(33,34)30-23-12-6-21(7-13-23)26(32)29-18(2)19-4-10-22(27)11-5-19/h4-5,8-11,14-16,18,21,23,30H,6-7,12-13H2,1-3H3,(H,29,32)
InChIKeyBJVMEGJCBPBABD-UHFFFAOYSA-N
MW498.62 g/mol
LogP4.25
Rot. Bonds7

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

4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 77478029) has the molecular formula C26H31FN4O3S and a molecular weight of 498.62 g/mol. Its IUPAC name is 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID77478029
Molecular FormulaC26H31FN4O3S
Molecular Weight498.62 g/mol
Exact Mass498.21
IUPAC Name4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cnc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)NC(C)c4ccc(F)cc4)CC3)cc2)n1C
InChIInChI=1S/C26H31FN4O3S/c1-17-16-28-25(31(17)3)20-8-14-24(15-9-20)35(33,34)30-23-12-6-21(7-13-23)26(32)29-18(2)19-4-10-22(27)11-5-19/h4-5,8-11,14-16,18,21,23,30H,6-7,12-13H2,1-3H3,(H,29,32)
InChIKeyBJVMEGJCBPBABD-UHFFFAOYSA-N
XLogP4.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]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

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
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58292066
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(6-phenyl-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58291935
4-[(1,2-dimethylbenzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 56639932
4-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 58292231
4-[(4-acetamido-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 53239403
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
N-[1-(4-fluorophenyl)ethyl]-4-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 76743719
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1H-indol-5-ylsulfonylamino)cyclohexane-1-carboxamide
CID 58074371
2-bromo-1H-imidazole;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1H-imidazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 157345041
4-[(2-ethynyl-1H-indol-6-yl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 129275319

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 77478029) is 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is Cc1cnc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)NC(C)c4ccc(F)cc4)CC3)cc2)n1C.
What is the InChIKey of 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is BJVMEGJCBPBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3S/c1-17-16-28-25(31(17)3)20-8-14-24(15-9-20)35(33,34)30-23-12-6-21(7-13-23)26(32)29-18(2)19-4-10-22(27)11-5-19/h4-5,8-11,14-16,18,21,23,30H,6-7,12-13H2,1-3H3,(H,29,32).
What are the key properties of 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 498.62 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 77478029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).