N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide

C15H14FNOS — CID 894919

IUPACN-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-13-8-6-12(7-9-13)10-17-15(18)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyANCBCNCYUPZGFV-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.23
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide

N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide (PubChem CID 894919) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide
PubChem CID894919
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-13-8-6-12(7-9-13)10-17-15(18)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyANCBCNCYUPZGFV-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide (CID 894919) is N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide?
The InChIKey is ANCBCNCYUPZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-13-8-6-12(7-9-13)10-17-15(18)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide?
N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide has a molecular weight of 275.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 894919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).