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

C15H14FNOS — CID 162671707

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide
SMILESNC(=O)C(SCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H14FNOS/c16-13-8-6-11(7-9-13)10-19-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,17,18)
InChIKeyAAEDCJSUZHZHSB-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.29
Rot. Bonds5

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

2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide (PubChem CID 162671707) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide
PubChem CID162671707
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide
SMILESNC(=O)C(SCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H14FNOS/c16-13-8-6-11(7-9-13)10-19-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,17,18)
InChIKeyAAEDCJSUZHZHSB-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide (CID 162671707) is 2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide is NC(=O)C(SCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide?
The InChIKey is AAEDCJSUZHZHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-13-8-6-11(7-9-13)10-19-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,17,18).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide?
2-[(4-fluorophenyl)methylsulfanyl]-2-phenylacetamide has a molecular weight of 275.35 g/mol, XLogP of 3.29, 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]-2-phenylacetamide is sourced from PubChem (CID 162671707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).