(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide

C15H14N2O5S — CID 923220

IUPAC(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C15H14N2O5S/c1-11(18)17-23(20,21)14-7-4-12(5-8-14)16-15(19)9-6-13-3-2-10-22-13/h2-10H,1H3,(H,16,19)(H,17,18)/b9-6+
InChIKeyXKVZKEPQGBNCNA-RMKNXTFCSA-N
MW334.35 g/mol
LogP1.76
Rot. Bonds5

About (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 923220) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID923220
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C15H14N2O5S/c1-11(18)17-23(20,21)14-7-4-12(5-8-14)16-15(19)9-6-13-3-2-10-22-13/h2-10H,1H3,(H,16,19)(H,17,18)/b9-6+
InChIKeyXKVZKEPQGBNCNA-RMKNXTFCSA-N
XLogP1.76
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 923220) is (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is XKVZKEPQGBNCNA-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-11(18)17-23(20,21)14-7-4-12(5-8-14)16-15(19)9-6-13-3-2-10-22-13/h2-10H,1H3,(H,16,19)(H,17,18)/b9-6+.
What are the key properties of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 334.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 923220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).