N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide

C16H14FNOS — CID 84925586

IUPACN-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCc1ccc(NC(=O)C=CSc2ccccc2)cc1F
InChIInChI=1S/C16H14FNOS/c1-12-7-8-13(11-15(12)17)18-16(19)9-10-20-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyYHNQNQPZRBNDCH-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.38
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide

N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide (PubChem CID 84925586) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide
PubChem CID84925586
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCc1ccc(NC(=O)C=CSc2ccccc2)cc1F
InChIInChI=1S/C16H14FNOS/c1-12-7-8-13(11-15(12)17)18-16(19)9-10-20-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyYHNQNQPZRBNDCH-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide 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 N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide (CID 84925586) is N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide is Cc1ccc(NC(=O)C=CSc2ccccc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide?
The InChIKey is YHNQNQPZRBNDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-12-7-8-13(11-15(12)17)18-16(19)9-10-20-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide?
N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide has a molecular weight of 287.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide is sourced from PubChem (CID 84925586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).