N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C21H20N2O4S — CID 2704666

IUPACN-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4S/c1-2-13-23(18-9-4-3-5-10-18)28(25,26)20-12-6-8-17(15-20)21(24)22-16-19-11-7-14-27-19/h2-12,14-15H,1,13,16H2,(H,22,24)
InChIKeyCPQMXKBNRDUPLH-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.59
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 2704666) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID2704666
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4S/c1-2-13-23(18-9-4-3-5-10-18)28(25,26)20-12-6-8-17(15-20)21(24)22-16-19-11-7-14-27-19/h2-12,14-15H,1,13,16H2,(H,22,24)
InChIKeyCPQMXKBNRDUPLH-UHFFFAOYSA-N
XLogP3.59
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 2704666) is N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is CPQMXKBNRDUPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-2-13-23(18-9-4-3-5-10-18)28(25,26)20-12-6-8-17(15-20)21(24)22-16-19-11-7-14-27-19/h2-12,14-15H,1,13,16H2,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 2704666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).