(2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

C10H10F3NOS — CID 2532114

IUPAC(2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESC[C@@H](Sc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H10F3NOS/c1-6(9(14)15)16-8-4-2-3-7(5-8)10(11,12)13/h2-6H,1H3,(H2,14,15)/t6-/m1/s1
InChIKeyJQAOHLPBSFGBQY-ZCFIWIBFSA-N
MW249.26 g/mol
LogP2.67
Rot. Bonds3

About (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

(2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 2532114) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID2532114
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name(2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESC[C@@H](Sc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H10F3NOS/c1-6(9(14)15)16-8-4-2-3-7(5-8)10(11,12)13/h2-6H,1H3,(H2,14,15)/t6-/m1/s1
InChIKeyJQAOHLPBSFGBQY-ZCFIWIBFSA-N
XLogP2.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, 2-(benzylthio)-
CID 95209
2-((2-Methylphenyl)thio)-acetamide
CID 36074
Acetamide, 2-(p-tolylthio)-
CID 51918
N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591947
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591982
1,1,1-Trifluoro-3-(3-methylphenyl)sulfanylpropan-2-one
CID 66465190
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]pentanamide
CID 162650091
3-Methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]butanamide
CID 162676787
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2998998
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]propanamide
CID 162662631
4-[3-(Trifluoromethyl)phenyl]sulfanylazetidin-2-one
CID 118526787
N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2-methylsulfanylpropanamide
CID 72021214

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 2532114) is (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is C[C@@H](Sc1cccc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is JQAOHLPBSFGBQY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F3NOS/c1-6(9(14)15)16-8-4-2-3-7(5-8)10(11,12)13/h2-6H,1H3,(H2,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
(2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 249.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 2532114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).