2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

C11H12F3NO2S — CID 2190615

IUPAC2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCCO)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10(17)7-18-5-4-16/h1-3,6,16H,4-5,7H2,(H,15,17)
InChIKeyQROBKRLKNXWAFR-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.37
Rot. Bonds5

About 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2190615) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2190615
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCCO)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10(17)7-18-5-4-16/h1-3,6,16H,4-5,7H2,(H,15,17)
InChIKeyQROBKRLKNXWAFR-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2190615) is 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSCCO)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QROBKRLKNXWAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10(17)7-18-5-4-16/h1-3,6,16H,4-5,7H2,(H,15,17).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 279.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2190615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).