N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide

C16H15NO2S — CID 143476177

IUPACN-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide
SMILESC=CC(=O)NOc1ccc(-c2ccc(SC)cc2)cc1
InChIInChI=1S/C16H15NO2S/c1-3-16(18)17-19-14-8-4-12(5-9-14)13-6-10-15(20-2)11-7-13/h3-11H,1H2,2H3,(H,17,18)
InChIKeyJTFCJWWUVQHMRW-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.67
Rot. Bonds5

About N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide

N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide (PubChem CID 143476177) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide
PubChem CID143476177
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide
SMILESC=CC(=O)NOc1ccc(-c2ccc(SC)cc2)cc1
InChIInChI=1S/C16H15NO2S/c1-3-16(18)17-19-14-8-4-12(5-9-14)13-6-10-15(20-2)11-7-13/h3-11H,1H2,2H3,(H,17,18)
InChIKeyJTFCJWWUVQHMRW-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4-methylsulfanylphenyl)phenoxy]prop-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-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide?
The IUPAC name of N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide (CID 143476177) is N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide.
What is the SMILES notation for N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide?
The canonical SMILES for N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide is C=CC(=O)NOc1ccc(-c2ccc(SC)cc2)cc1.
What is the InChIKey of N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide?
The InChIKey is JTFCJWWUVQHMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-3-16(18)17-19-14-8-4-12(5-9-14)13-6-10-15(20-2)11-7-13/h3-11H,1H2,2H3,(H,17,18).
What are the key properties of N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide?
N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide has a molecular weight of 285.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfanylphenyl)phenoxy]prop-2-enamide is sourced from PubChem (CID 143476177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).