2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

C15H13F3N2OS — CID 51234179

IUPAC2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2OS/c1-10(22-13-8-4-5-9-19-13)14(21)20-12-7-3-2-6-11(12)15(16,17)18/h2-10H,1H3,(H,20,21)
InChIKeyFZZUHISEVFODMQ-UHFFFAOYSA-N
MW326.34 g/mol
LogP4.22
Rot. Bonds4

About 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 51234179) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID51234179
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC Name2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2OS/c1-10(22-13-8-4-5-9-19-13)14(21)20-12-7-3-2-6-11(12)15(16,17)18/h2-10H,1H3,(H,20,21)
InChIKeyFZZUHISEVFODMQ-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46544190
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8985827
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8936507
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42944892
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 51234179) is 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is CC(Sc1ccccn1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FZZUHISEVFODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2OS/c1-10(22-13-8-4-5-9-19-13)14(21)20-12-7-3-2-6-11(12)15(16,17)18/h2-10H,1H3,(H,20,21).
What are the key properties of 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 326.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 51234179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).