4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide

C13H16F3NO2S — CID 79192003

IUPAC4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
SMILESCC(O)CCC(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c1-9(18)6-7-12(19)17-10-4-2-3-5-11(10)20-8-13(14,15)16/h2-5,9,18H,6-8H2,1H3,(H,17,19)
InChIKeyHUYBBCSUQUGCTF-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.44
Rot. Bonds6

About 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide

4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide (PubChem CID 79192003) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
PubChem CID79192003
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
SMILESCC(O)CCC(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c1-9(18)6-7-12(19)17-10-4-2-3-5-11(10)20-8-13(14,15)16/h2-5,9,18H,6-8H2,1H3,(H,17,19)
InChIKeyHUYBBCSUQUGCTF-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-[2-(2,2,2-trifluoroethylsulfanyl)anilino]butanoic acid
CID 43579901
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 62839170
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
2-methyl-N-[2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]ethyl]propanamide
CID 47033314
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61180010
2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849
N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 46538000
3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 111496944
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 46420007
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide (CID 79192003) is 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide is CC(O)CCC(=O)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide?
The InChIKey is HUYBBCSUQUGCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c1-9(18)6-7-12(19)17-10-4-2-3-5-11(10)20-8-13(14,15)16/h2-5,9,18H,6-8H2,1H3,(H,17,19).
What are the key properties of 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide?
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide has a molecular weight of 307.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide is sourced from PubChem (CID 79192003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).