N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide

C16H15F3N2O2S — CID 95379231

IUPACN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O2S/c1-24-15-12(3-2-8-20-15)14(23)21-9-13(22)10-4-6-11(7-5-10)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyAGLLQJLAXNANMF-CYBMUJFWSA-N
MW356.37 g/mol
LogP3.29
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 95379231) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID95379231
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O2S/c1-24-15-12(3-2-8-20-15)14(23)21-9-13(22)10-4-6-11(7-5-10)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyAGLLQJLAXNANMF-CYBMUJFWSA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97042451
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-nitrobenzamide
CID 90534706
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
2-(difluoromethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24553021
N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 75447518
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 166208718
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121132753

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 95379231) is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is AGLLQJLAXNANMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-24-15-12(3-2-8-20-15)14(23)21-9-13(22)10-4-6-11(7-5-10)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 95379231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).