N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C17H16F3NOS — CID 2575823

IUPACN-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESC[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NOS/c1-12(13-6-3-2-4-7-13)21-16(22)11-23-15-9-5-8-14(10-15)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyRPROVBJKJBDBEV-GFCCVEGCSA-N
MW339.38 g/mol
LogP4.67
Rot. Bonds5

About N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2575823) has the molecular formula C17H16F3NOS and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2575823
Molecular FormulaC17H16F3NOS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC NameN-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESC[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NOS/c1-12(13-6-3-2-4-7-13)21-16(22)11-23-15-9-5-8-14(10-15)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyRPROVBJKJBDBEV-GFCCVEGCSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17444667
(2R)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]butanoic acid
CID 119368167
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148
2-(4-methoxyphenyl)sulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 17475687
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
N-[(1S)-1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484677
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2575823) is N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is RPROVBJKJBDBEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16F3NOS/c1-12(13-6-3-2-4-7-13)21-16(22)11-23-15-9-5-8-14(10-15)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 339.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2575823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).