(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

C22H18F3NO2S — CID 26207800

IUPAC(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18F3NO2S/c23-22(24,25)28-18-13-11-16(12-14-18)15-26-21(27)20(17-7-3-1-4-8-17)29-19-9-5-2-6-10-19/h1-14,20H,15H2,(H,26,27)/t20-/m0/s1
InChIKeyGDTMLCAJFDLOEC-FQEVSTJZSA-N
MW417.45 g/mol
LogP5.74
Rot. Bonds7

About (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 26207800) has the molecular formula C22H18F3NO2S and a molecular weight of 417.45 g/mol. Its IUPAC name is (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID26207800
Molecular FormulaC22H18F3NO2S
Molecular Weight417.45 g/mol
Exact Mass417.10
IUPAC Name(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18F3NO2S/c23-22(24,25)28-18-13-11-16(12-14-18)15-26-21(27)20(17-7-3-1-4-8-17)29-19-9-5-2-6-10-19/h1-14,20H,15H2,(H,26,27)/t20-/m0/s1
InChIKeyGDTMLCAJFDLOEC-FQEVSTJZSA-N
XLogP5.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 24584153
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2365823
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (CID 26207800) is (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is GDTMLCAJFDLOEC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18F3NO2S/c23-22(24,25)28-18-13-11-16(12-14-18)15-26-21(27)20(17-7-3-1-4-8-17)29-19-9-5-2-6-10-19/h1-14,20H,15H2,(H,26,27)/t20-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 417.45 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 26207800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).