N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C15H20F3NO2S — CID 111461482

IUPACN-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(C)C(O)CCNC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2S/c1-10(2)13(20)6-7-19-14(21)9-22-12-5-3-4-11(8-12)15(16,17)18/h3-5,8,10,13,20H,6-7,9H2,1-2H3,(H,19,21)
InChIKeyGESPEIMUXQPPNJ-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.32
Rot. Bonds7

About N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 111461482) has the molecular formula C15H20F3NO2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID111461482
Molecular FormulaC15H20F3NO2S
Molecular Weight335.39 g/mol
Exact Mass335.12
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(C)C(O)CCNC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2S/c1-10(2)13(20)6-7-19-14(21)9-22-12-5-3-4-11(8-12)15(16,17)18/h3-5,8,10,13,20H,6-7,9H2,1-2H3,(H,19,21)
InChIKeyGESPEIMUXQPPNJ-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 111461482) is N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CC(C)C(O)CCNC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is GESPEIMUXQPPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2S/c1-10(2)13(20)6-7-19-14(21)9-22-12-5-3-4-11(8-12)15(16,17)18/h3-5,8,10,13,20H,6-7,9H2,1-2H3,(H,19,21).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 335.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 111461482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).