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

C14H14N2O4S — CID 2551912

IUPAC(E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C14H14N2O4S/c15-21(18,19)13-6-3-11(4-7-13)10-16-14(17)8-5-12-2-1-9-20-12/h1-9H,10H2,(H,16,17)(H2,15,18,19)/b8-5+
InChIKeyVXTLNQGTZYGDCG-VMPITWQZSA-N
MW306.34 g/mol
LogP1.26
Rot. Bonds5

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

(E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide (PubChem CID 2551912) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
PubChem CID2551912
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name(E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C14H14N2O4S/c15-21(18,19)13-6-3-11(4-7-13)10-16-14(17)8-5-12-2-1-9-20-12/h1-9H,10H2,(H,16,17)(H2,15,18,19)/b8-5+
InChIKeyVXTLNQGTZYGDCG-VMPITWQZSA-N
XLogP1.26
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide (CID 2551912) is (E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide is NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The InChIKey is VXTLNQGTZYGDCG-VMPITWQZSA-N. The full InChI is InChI=1S/C14H14N2O4S/c15-21(18,19)13-6-3-11(4-7-13)10-16-14(17)8-5-12-2-1-9-20-12/h1-9H,10H2,(H,16,17)(H2,15,18,19)/b8-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide has a molecular weight of 306.34 g/mol, XLogP of 1.26, 5 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)methyl]prop-2-enamide is sourced from PubChem (CID 2551912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).