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

C28H23NOS — CID 91184978

IUPACN-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCc1ccc(NC(=O)C(=CSc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23NOS/c1-21-12-18-25(19-13-21)29-28(30)27(20-31-26-10-6-3-7-11-26)24-16-14-23(15-17-24)22-8-4-2-5-9-22/h2-20H,1H3,(H,29,30)
InChIKeyYYAYNEZEBXFOTI-UHFFFAOYSA-N
MW421.57 g/mol
LogP7.43
Rot. Bonds6

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

N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide (PubChem CID 91184978) has the molecular formula C28H23NOS and a molecular weight of 421.57 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide
PubChem CID91184978
Molecular FormulaC28H23NOS
Molecular Weight421.57 g/mol
Exact Mass421.15
IUPAC NameN-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCc1ccc(NC(=O)C(=CSc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23NOS/c1-21-12-18-25(19-13-21)29-28(30)27(20-31-26-10-6-3-7-11-26)24-16-14-23(15-17-24)22-8-4-2-5-9-22/h2-20H,1H3,(H,29,30)
InChIKeyYYAYNEZEBXFOTI-UHFFFAOYSA-N
XLogP7.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)-2-(4-phenylphenyl)-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-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide?
The IUPAC name of N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide (CID 91184978) is N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide?
The canonical SMILES for N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide is Cc1ccc(NC(=O)C(=CSc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide?
The InChIKey is YYAYNEZEBXFOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NOS/c1-21-12-18-25(19-13-21)29-28(30)27(20-31-26-10-6-3-7-11-26)24-16-14-23(15-17-24)22-8-4-2-5-9-22/h2-20H,1H3,(H,29,30).
What are the key properties of N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide?
N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide has a molecular weight of 421.57 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide is sourced from PubChem (CID 91184978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).