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

C13H12N2O4S — CID 768666

IUPAC(E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C13H12N2O4S/c14-20(17,18)12-6-3-10(4-7-12)15-13(16)8-5-11-2-1-9-19-11/h1-9H,(H,15,16)(H2,14,17,18)/b8-5+
InChIKeyXCNHYJUBJPXAED-VMPITWQZSA-N
MW292.32 g/mol
LogP1.58
Rot. Bonds4

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

(E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 768666) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID768666
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name(E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C13H12N2O4S/c14-20(17,18)12-6-3-10(4-7-12)15-13(16)8-5-11-2-1-9-19-11/h1-9H,(H,15,16)(H2,14,17,18)/b8-5+
InChIKeyXCNHYJUBJPXAED-VMPITWQZSA-N
XLogP1.58
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-({(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl}sulfonyl)phenyl]acetamide
CID 9655953
N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 4597423
4-amino-N-(furan-2-ylmethyl)benzene-1-sulfonamide
CID 2056585
4-{[3-(2-Furyl)-3-oxo-1-propenyl]amino}benzenesulfonamide
CID 871981
3-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168294418
(2E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712926
(2E)-2-cyano-3-(2-furyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
CID 896124
[2-Oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}furan-2-carboxamide
CID 649025
N-((4-sulfamoylphenyl)carbamothioyl)furan-2-carboxamide
CID 1552993
Sulfanilamide, N(sup 4)-furfuryl-
CID 3059601

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 768666) is (E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is XCNHYJUBJPXAED-VMPITWQZSA-N. The full InChI is InChI=1S/C13H12N2O4S/c14-20(17,18)12-6-3-10(4-7-12)15-13(16)8-5-11-2-1-9-19-11/h1-9H,(H,15,16)(H2,14,17,18)/b8-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 292.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 768666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).