2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide

C15H14FNOS — CID 573187

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C15H14FNOS/c16-13-8-6-12(7-9-13)10-19-11-15(18)17-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyLYIJFZPGMKYJEK-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.70
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide (PubChem CID 573187) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide
PubChem CID573187
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C15H14FNOS/c16-13-8-6-12(7-9-13)10-19-11-15(18)17-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyLYIJFZPGMKYJEK-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide 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-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide (CID 573187) is 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide is O=C(CSCc1ccc(F)cc1)Nc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide?
The InChIKey is LYIJFZPGMKYJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-13-8-6-12(7-9-13)10-19-11-15(18)17-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide has a molecular weight of 275.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 573187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).