N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C22H24F3NO3S — CID 86963463

IUPACN-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)Nc1cccc(CS(=O)C2CCCCC2)c1
InChIInChI=1S/C22H24F3NO3S/c23-22(24,25)19-11-4-5-12-20(19)29-14-21(27)26-17-8-6-7-16(13-17)15-30(28)18-9-2-1-3-10-18/h4-8,11-13,18H,1-3,9-10,14-15H2,(H,26,27)
InChIKeyICVMCTUHCVGJHD-UHFFFAOYSA-N
MW439.50 g/mol
LogP5.30
Rot. Bonds7

About N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 86963463) has the molecular formula C22H24F3NO3S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID86963463
Molecular FormulaC22H24F3NO3S
Molecular Weight439.50 g/mol
Exact Mass439.14
IUPAC NameN-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)Nc1cccc(CS(=O)C2CCCCC2)c1
InChIInChI=1S/C22H24F3NO3S/c23-22(24,25)19-11-4-5-12-20(19)29-14-21(27)26-17-8-6-7-16(13-17)15-30(28)18-9-2-1-3-10-18/h4-8,11-13,18H,1-3,9-10,14-15H2,(H,26,27)
InChIKeyICVMCTUHCVGJHD-UHFFFAOYSA-N
XLogP5.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclohexylsulfinylmethyl)phenyl]prop-2-enamide
CID 166405123
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86963458
N-(3-pyrazolidin-3-ylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 74622794
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
CID 119327208
N-[3-(cyclohexylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119789972
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 91642928
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86833830
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119327223
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide
CID 81333278

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 86963463) is N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccccc1C(F)(F)F)Nc1cccc(CS(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ICVMCTUHCVGJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO3S/c23-22(24,25)19-11-4-5-12-20(19)29-14-21(27)26-17-8-6-7-16(13-17)15-30(28)18-9-2-1-3-10-18/h4-8,11-13,18H,1-3,9-10,14-15H2,(H,26,27).
What are the key properties of N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 439.50 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 86963463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).