2-(4-cyano-2-fluorophenyl)sulfanylpropanamide

C10H9FN2OS — CID 71999554

IUPAC2-(4-cyano-2-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(C#N)cc1F)C(N)=O
InChIInChI=1S/C10H9FN2OS/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-4,6H,1H3,(H2,13,14)
InChIKeyPJEUPVDPWRPYSB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.66
Rot. Bonds3

About 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide

2-(4-cyano-2-fluorophenyl)sulfanylpropanamide (PubChem CID 71999554) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(4-cyano-2-fluorophenyl)sulfanylpropanamide
PubChem CID71999554
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-(4-cyano-2-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(C#N)cc1F)C(N)=O
InChIInChI=1S/C10H9FN2OS/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-4,6H,1H3,(H2,13,14)
InChIKeyPJEUPVDPWRPYSB-UHFFFAOYSA-N
XLogP1.66
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide (CID 71999554) is 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide is CC(Sc1ccc(C#N)cc1F)C(N)=O.
What is the InChIKey of 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide?
The InChIKey is PJEUPVDPWRPYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-4,6H,1H3,(H2,13,14).
What are the key properties of 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide?
2-(4-cyano-2-fluorophenyl)sulfanylpropanamide has a molecular weight of 224.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 71999554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).