2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide

C13H16F3NOS — CID 162650091

IUPAC2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide
SMILESCCCC(SCc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C13H16F3NOS/c1-2-4-11(12(17)18)19-8-9-5-3-6-10(7-9)13(14,15)16/h3,5-7,11H,2,4,8H2,1H3,(H2,17,18)
InChIKeyQEAYMKBYHHWTJZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.59
Rot. Bonds6

About 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide

2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide (PubChem CID 162650091) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide
PubChem CID162650091
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide
SMILESCCCC(SCc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C13H16F3NOS/c1-2-4-11(12(17)18)19-8-9-5-3-6-10(7-9)13(14,15)16/h3,5-7,11H,2,4,8H2,1H3,(H2,17,18)
InChIKeyQEAYMKBYHHWTJZ-UHFFFAOYSA-N
XLogP3.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide 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 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide (CID 162650091) is 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide is CCCC(SCc1cccc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide?
The InChIKey is QEAYMKBYHHWTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c1-2-4-11(12(17)18)19-8-9-5-3-6-10(7-9)13(14,15)16/h3,5-7,11H,2,4,8H2,1H3,(H2,17,18).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide?
2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide has a molecular weight of 291.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide is sourced from PubChem (CID 162650091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).