3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide

C16H16N2O4S — CID 71894427

IUPAC3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide
SMILESCOc1ccc(C)cc1C=CC(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C16H16N2O4S/c1-12-5-7-15(22-2)13(10-12)6-8-16(19)18-23(20,21)14-4-3-9-17-11-14/h3-11H,1-2H3,(H,18,19)
InChIKeyHRCZJWVTISWUPD-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.92
Rot. Bonds5

About 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide

3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide (PubChem CID 71894427) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide
PubChem CID71894427
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide
SMILESCOc1ccc(C)cc1C=CC(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C16H16N2O4S/c1-12-5-7-15(22-2)13(10-12)6-8-16(19)18-23(20,21)14-4-3-9-17-11-14/h3-11H,1-2H3,(H,18,19)
InChIKeyHRCZJWVTISWUPD-UHFFFAOYSA-N
XLogP1.92
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-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

Related Compounds

3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide
CID 71894423
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide
CID 26592309
N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77022280
N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77075442
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9210143
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
(E)-3-(2-tert-butyl-1,3-thiazol-5-yl)-N-pyridin-3-ylsulfonylprop-2-enamide
CID 91643667
(E)-3-(2-methoxy-5-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 9483464
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 9224174
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 33160805

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide (CID 71894427) is 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide is COc1ccc(C)cc1C=CC(=O)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide?
The InChIKey is HRCZJWVTISWUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-12-5-7-15(22-2)13(10-12)6-8-16(19)18-23(20,21)14-4-3-9-17-11-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide?
3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide has a molecular weight of 332.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide is sourced from PubChem (CID 71894427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).