2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide

C11H14FNOS — CID 47160196

IUPAC2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SC(C)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C11H14FNOS/c1-7(15-8(2)11(13)14)9-3-5-10(12)6-4-9/h3-8H,1-2H3,(H2,13,14)
InChIKeyYREWRJBWCBBYPF-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.49
Rot. Bonds4

About 2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide

2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide (PubChem CID 47160196) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide
PubChem CID47160196
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SC(C)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C11H14FNOS/c1-7(15-8(2)11(13)14)9-3-5-10(12)6-4-9/h3-8H,1-2H3,(H2,13,14)
InChIKeyYREWRJBWCBBYPF-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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Related Compounds

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Armodafinil
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Deoxy modafinil
CID 9965017
2-((Bis(4-fluorophenyl)methyl)sulfinyl)acetamide
CID 13271852
2-((2-Methylphenyl)thio)-acetamide
CID 36074
Acetamide, 2-(p-tolylthio)-
CID 51918
4-Methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide
CID 162646033
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]pentanamide
CID 162650091
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]hexanamide
CID 162650825
2-Cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide
CID 162676071

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide (CID 47160196) is 2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide is CC(SC(C)c1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide?
The InChIKey is YREWRJBWCBBYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-7(15-8(2)11(13)14)9-3-5-10(12)6-4-9/h3-8H,1-2H3,(H2,13,14).
What are the key properties of 2-[1-(4-fluorophenyl)ethylsulfanyl]propanamide?
2-[1-(4-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-(4-fluorophenyl)ethylsulfanyl]propanamide is sourced from PubChem (CID 47160196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).