N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide

C26H28FN3O3S — CID 58292066

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3ccccn3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H28FN3O3S/c1-18(19-5-11-22(27)12-6-19)29-26(31)21-7-13-23(14-8-21)30-34(32,33)24-15-9-20(10-16-24)25-4-2-3-17-28-25/h2-6,9-12,15-18,21,23,30H,7-8,13-14H2,1H3,(H,29,31)/t18-,21?,23?/m1/s1
InChIKeyPIDRMHKHOMMUCA-FBHNJWQJSA-N
MW481.59 g/mol
LogP4.60
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 58292066) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
PubChem CID58292066
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3ccccn3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H28FN3O3S/c1-18(19-5-11-22(27)12-6-19)29-26(31)21-7-13-23(14-8-21)30-34(32,33)24-15-9-20(10-16-24)25-4-2-3-17-28-25/h2-6,9-12,15-18,21,23,30H,7-8,13-14H2,1H3,(H,29,31)/t18-,21?,23?/m1/s1
InChIKeyPIDRMHKHOMMUCA-FBHNJWQJSA-N
XLogP4.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(6-phenyl-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58291935
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-[[4-(1,5-dimethylimidazol-2-yl)phenyl]sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 77478029
4-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 58292231
N-[1-(4-fluorophenyl)ethyl]-4-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 76743719
4-(9H-fluoren-2-ylsulfonylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 90216895
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[3-(phenylcarbamoylamino)phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 58292270
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1H-indol-5-ylsulfonylamino)cyclohexane-1-carboxamide
CID 58074371
4-[(4-acetamido-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 53239403
4-[(1,2-dimethylbenzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 56639932
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide (CID 58292066) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3ccccn3)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is PIDRMHKHOMMUCA-FBHNJWQJSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-18(19-5-11-22(27)12-6-19)29-26(31)21-7-13-23(14-8-21)30-34(32,33)24-15-9-20(10-16-24)25-4-2-3-17-28-25/h2-6,9-12,15-18,21,23,30H,7-8,13-14H2,1H3,(H,29,31)/t18-,21?,23?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 58292066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).