N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide

C17H17F3N2O2S — CID 47081512

IUPACN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccncc1)NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)14-4-2-1-3-13(14)15(23)9-22-16(24)11-25-10-12-5-7-21-8-6-12/h1-8,15,23H,9-11H2,(H,22,24)
InChIKeyFSWUYWNMRZYQPY-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.18
Rot. Bonds7

About N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (PubChem CID 47081512) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
PubChem CID47081512
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccncc1)NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)14-4-2-1-3-13(14)15(23)9-22-16(24)11-25-10-12-5-7-21-8-6-12/h1-8,15,23H,9-11H2,(H,22,24)
InChIKeyFSWUYWNMRZYQPY-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 111119811
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 94810445
2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986621
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049
(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94190174
2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 97193145
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 95618106
trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 100842374
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (CID 47081512) is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is O=C(CSCc1ccncc1)NCC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The InChIKey is FSWUYWNMRZYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-17(19,20)14-4-2-1-3-13(14)15(23)9-22-16(24)11-25-10-12-5-7-21-8-6-12/h1-8,15,23H,9-11H2,(H,22,24).
What are the key properties of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide has a molecular weight of 370.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 47081512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).