(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide

C18H14N2O5S — CID 108794040

IUPAC(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C18H14N2O5S/c19-26(23,24)14-8-6-13(7-9-14)20-17(21)10-5-12-11-25-16-4-2-1-3-15(16)18(12)22/h1-11H,(H,20,21)(H2,19,23,24)/b10-5+
InChIKeyHKLRROYXLDAXSQ-BJMVGYQFSA-N
MW370.39 g/mol
LogP2.09
Rot. Bonds4

About (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 108794040) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID108794040
Molecular FormulaC18H14N2O5S
Molecular Weight370.39 g/mol
Exact Mass370.06
IUPAC Name(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C18H14N2O5S/c19-26(23,24)14-8-6-13(7-9-14)20-17(21)10-5-12-11-25-16-4-2-1-3-15(16)18(12)22/h1-11H,(H,20,21)(H2,19,23,24)/b10-5+
InChIKeyHKLRROYXLDAXSQ-BJMVGYQFSA-N
XLogP2.09
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(4-oxochromen-3-yl)-N-(4-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-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 108794092
(E)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805887
(E)-N-(4-butoxyphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794158
2-[[4-[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]benzoyl]amino]acetic acid
CID 108794172
(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805868
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108745072
(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108742529
(E)-3-(4-oxochromen-3-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108727461
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102
(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805864
(E)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108747949
(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805807

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 108794040) is (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2coc3ccccc3c2=O)cc1.
What is the InChIKey of (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is HKLRROYXLDAXSQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H14N2O5S/c19-26(23,24)14-8-6-13(7-9-14)20-17(21)10-5-12-11-25-16-4-2-1-3-15(16)18(12)22/h1-11H,(H,20,21)(H2,19,23,24)/b10-5+.
What are the key properties of (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 370.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 108794040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).