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

C16H16FNOS — CID 1122115

IUPACN-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c17-14-8-6-13(7-9-14)10-11-18-16(19)12-20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19)
InChIKeyNOLFIFRIVCDEDX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.28
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide (PubChem CID 1122115) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide
PubChem CID1122115
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c17-14-8-6-13(7-9-14)10-11-18-16(19)12-20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19)
InChIKeyNOLFIFRIVCDEDX-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide (CID 1122115) is N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide?
The InChIKey is NOLFIFRIVCDEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-14-8-6-13(7-9-14)10-11-18-16(19)12-20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide?
N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide has a molecular weight of 289.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 1122115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).