2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide

C11H14FNOS — CID 47321718

IUPAC2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SC(C)c1ccccc1F)C(N)=O
InChIInChI=1S/C11H14FNOS/c1-7(15-8(2)11(13)14)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H2,13,14)
InChIKeyJHDFKNYBYMQRGO-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.49
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide

2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide (PubChem CID 47321718) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
PubChem CID47321718
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SC(C)c1ccccc1F)C(N)=O
InChIInChI=1S/C11H14FNOS/c1-7(15-8(2)11(13)14)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H2,13,14)
InChIKeyJHDFKNYBYMQRGO-UHFFFAOYSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide (CID 47321718) is 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide is CC(SC(C)c1ccccc1F)C(N)=O.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide?
The InChIKey is JHDFKNYBYMQRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-7(15-8(2)11(13)14)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H2,13,14).
What are the key properties of 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide?
2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide has a molecular weight of 227.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylsulfanyl]propanamide is sourced from PubChem (CID 47321718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).