N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide

C22H23F5N2O3S — CID 76743573

IUPACN-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F5N2O3S/c1-13(14-2-7-17(23)8-3-14)28-21(30)15-4-9-18(10-5-15)29-33(31,32)20-11-6-16(12-19(20)24)22(25,26)27/h2-3,6-8,11-13,15,18,29H,4-5,9-10H2,1H3,(H,28,30)
InChIKeyYFTDDGKIMPTFPW-UHFFFAOYSA-N
MW490.49 g/mol
LogP4.70
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide

N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 76743573) has the molecular formula C22H23F5N2O3S and a molecular weight of 490.49 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
PubChem CID76743573
Molecular FormulaC22H23F5N2O3S
Molecular Weight490.49 g/mol
Exact Mass490.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F5N2O3S/c1-13(14-2-7-17(23)8-3-14)28-21(30)15-4-9-18(10-5-15)29-33(31,32)20-11-6-16(12-19(20)24)22(25,26)27/h2-3,6-8,11-13,15,18,29H,4-5,9-10H2,1H3,(H,28,30)
InChIKeyYFTDDGKIMPTFPW-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
4-[(4-acetamido-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 53239403
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1H-indol-5-ylsulfonylamino)cyclohexane-1-carboxamide
CID 58074371
4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 120782359
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
4-[(2-ethynyl-1H-indol-6-yl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 129275319
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
4-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 58292231
4-[(2-cyclopropyl-1H-indol-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 90096658
4-[[6-(2-aminoethylamino)-5-bromo-3-pyridinyl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 58074363

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide (CID 76743573) is N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is YFTDDGKIMPTFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F5N2O3S/c1-13(14-2-7-17(23)8-3-14)28-21(30)15-4-9-18(10-5-15)29-33(31,32)20-11-6-16(12-19(20)24)22(25,26)27/h2-3,6-8,11-13,15,18,29H,4-5,9-10H2,1H3,(H,28,30).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 76743573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).