(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide

C18H20N2O5S — CID 2684663

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-15-6-9-17(25-2)14(11-15)5-10-18(21)20-12-13-3-7-16(8-4-13)26(19,22)23/h3-11H,12H2,1-2H3,(H,20,21)(H2,19,22,23)/b10-5+
InChIKeyIZMOXMCSVDOZBZ-BJMVGYQFSA-N
MW376.43 g/mol
LogP1.68
Rot. Bonds7

About (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide (PubChem CID 2684663) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
PubChem CID2684663
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-15-6-9-17(25-2)14(11-15)5-10-18(21)20-12-13-3-7-16(8-4-13)26(19,22)23/h3-11H,12H2,1-2H3,(H,20,21)(H2,19,22,23)/b10-5+
InChIKeyIZMOXMCSVDOZBZ-BJMVGYQFSA-N
XLogP1.68
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]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

Related Compounds

N-[4-[[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55509565
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
(E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
CID 55744442
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 11304701
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 42985007
1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 1324283
(E)-N-[(2-bromo-5-fluorophenyl)methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 98875452
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707
(E)-3-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47099182
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 8781214

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide (CID 2684663) is (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The InChIKey is IZMOXMCSVDOZBZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-15-6-9-17(25-2)14(11-15)5-10-18(21)20-12-13-3-7-16(8-4-13)26(19,22)23/h3-11H,12H2,1-2H3,(H,20,21)(H2,19,22,23)/b10-5+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide has a molecular weight of 376.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 2684663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).