(E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide

C18H20N2O4S — CID 9141198

IUPAC(E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-24-16-9-5-14(6-10-16)7-11-18(21)20-15-8-4-13(2)17(12-15)25(19,22)23/h4-12H,3H2,1-2H3,(H,20,21)(H2,19,22,23)/b11-7+
InChIKeyIGFXFQUMMIXCIJ-YRNVUSSQSA-N
MW360.44 g/mol
LogP2.69
Rot. Bonds6

About (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide (PubChem CID 9141198) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
PubChem CID9141198
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-24-16-9-5-14(6-10-16)7-11-18(21)20-15-8-4-13(2)17(12-15)25(19,22)23/h4-12H,3H2,1-2H3,(H,20,21)(H2,19,22,23)/b11-7+
InChIKeyIGFXFQUMMIXCIJ-YRNVUSSQSA-N
XLogP2.69
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)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

(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide
CID 26852058
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227042
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 39423072
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 55927542

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide (CID 9141198) is (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The InChIKey is IGFXFQUMMIXCIJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-24-16-9-5-14(6-10-16)7-11-18(21)20-15-8-4-13(2)17(12-15)25(19,22)23/h4-12H,3H2,1-2H3,(H,20,21)(H2,19,22,23)/b11-7+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide has a molecular weight of 360.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 9141198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).