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

C14H14N2O4S — CID 712925

IUPAC3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=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)
InChIKeyUFANFHFMZRXJNI-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.89
Rot. Bonds4

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

3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 712925) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID712925
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=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)
InChIKeyUFANFHFMZRXJNI-UHFFFAOYSA-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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Related Compounds

N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334787
N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923472
N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923476
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719
(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6314090
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
(E)-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6171532
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 712925) is 3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is UFANFHFMZRXJNI-UHFFFAOYSA-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).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
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 3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 712925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).