(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide

C20H19N3O6S2 — CID 2433385

IUPAC(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C20H19N3O6S2/c21-30(25,26)18-10-6-16(7-11-18)23-20(24)12-5-15-3-8-19(9-4-15)31(27,28)22-14-17-2-1-13-29-17/h1-13,22H,14H2,(H,23,24)(H2,21,25,26)/b12-5+
InChIKeyCENIOAYZJZNXDV-LFYBBSHMSA-N
MW461.52 g/mol
LogP2.06
Rot. Bonds8

About (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 2433385) has the molecular formula C20H19N3O6S2 and a molecular weight of 461.52 g/mol. Its IUPAC name is (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID2433385
Molecular FormulaC20H19N3O6S2
Molecular Weight461.52 g/mol
Exact Mass461.07
IUPAC Name(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C20H19N3O6S2/c21-30(25,26)18-10-6-16(7-11-18)23-20(24)12-5-15-3-8-19(9-4-15)31(27,28)22-14-17-2-1-13-29-17/h1-13,22H,14H2,(H,23,24)(H2,21,25,26)/b12-5+
InChIKeyCENIOAYZJZNXDV-LFYBBSHMSA-N
XLogP2.06
TPSA148.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide (CID 2433385) is (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is CENIOAYZJZNXDV-LFYBBSHMSA-N. The full InChI is InChI=1S/C20H19N3O6S2/c21-30(25,26)18-10-6-16(7-11-18)23-20(24)12-5-15-3-8-19(9-4-15)31(27,28)22-14-17-2-1-13-29-17/h1-13,22H,14H2,(H,23,24)(H2,21,25,26)/b12-5+.
What are the key properties of (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 461.52 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 2433385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).