2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide

C11H11FN2OS — CID 70666047

IUPAC2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide
SMILESCC(C)(Sc1ccc(C#N)cc1F)C(N)=O
InChIInChI=1S/C11H11FN2OS/c1-11(2,10(14)15)16-9-4-3-7(6-13)5-8(9)12/h3-5H,1-2H3,(H2,14,15)
InChIKeyGUPIHYBFHVFNJW-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.05
Rot. Bonds3

About 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide

2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide (PubChem CID 70666047) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide
PubChem CID70666047
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide
SMILESCC(C)(Sc1ccc(C#N)cc1F)C(N)=O
InChIInChI=1S/C11H11FN2OS/c1-11(2,10(14)15)16-9-4-3-7(6-13)5-8(9)12/h3-5H,1-2H3,(H2,14,15)
InChIKeyGUPIHYBFHVFNJW-UHFFFAOYSA-N
XLogP2.05
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide?
The IUPAC name of 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide (CID 70666047) is 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide is CC(C)(Sc1ccc(C#N)cc1F)C(N)=O.
What is the InChIKey of 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide?
The InChIKey is GUPIHYBFHVFNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-11(2,10(14)15)16-9-4-3-7(6-13)5-8(9)12/h3-5H,1-2H3,(H2,14,15).
What are the key properties of 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide?
2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 2.05, 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)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 70666047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).