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

C10H10F3NOS — CID 2798055

IUPAC2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)CSCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)8-3-1-2-7(4-8)5-16-6-9(14)15/h1-4H,5-6H2,(H2,14,15)
InChIKeyDROFOIVBBLZNBQ-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.42
Rot. Bonds4

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

2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (PubChem CID 2798055) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
PubChem CID2798055
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)CSCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)8-3-1-2-7(4-8)5-16-6-9(14)15/h1-4H,5-6H2,(H2,14,15)
InChIKeyDROFOIVBBLZNBQ-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide 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]acetamide?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (CID 2798055) is 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide is NC(=O)CSCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The InChIKey is DROFOIVBBLZNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)8-3-1-2-7(4-8)5-16-6-9(14)15/h1-4H,5-6H2,(H2,14,15).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide has a molecular weight of 249.26 g/mol, XLogP of 2.42, 4 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]acetamide is sourced from PubChem (CID 2798055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).