(E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide

C14H14N2O4S — CID 712926

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C14H14N2O4S/c1-10-2-5-12(20-10)6-9-14(17)16-11-3-7-13(8-4-11)21(15,18)19/h2-9H,1H3,(H,16,17)(H2,15,18,19)/b9-6+
InChIKeyUFANFHFMZRXJNI-RMKNXTFCSA-N
MW306.34 g/mol
LogP1.89
Rot. Bonds4

About (E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 712926) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID712926
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C14H14N2O4S/c1-10-2-5-12(20-10)6-9-14(17)16-11-3-7-13(8-4-11)21(15,18)19/h2-9H,1H3,(H,16,17)(H2,15,18,19)/b9-6+
InChIKeyUFANFHFMZRXJNI-RMKNXTFCSA-N
XLogP1.89
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.89
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-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 712926) is (E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is UFANFHFMZRXJNI-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-2-5-12(20-10)6-9-14(17)16-11-3-7-13(8-4-11)21(15,18)19/h2-9H,1H3,(H,16,17)(H2,15,18,19)/b9-6+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 306.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 712926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).