(E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide

C13H12N2O3S2 — CID 2319752

IUPAC(E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C13H12N2O3S2/c14-20(17,18)12-6-3-10(4-7-12)15-13(16)8-5-11-2-1-9-19-11/h1-9H,(H,15,16)(H2,14,17,18)/b8-5+
InChIKeyNLPXBKTYMQNDRV-VMPITWQZSA-N
MW308.38 g/mol
LogP2.05
Rot. Bonds4

About (E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 2319752) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID2319752
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC Name(E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C13H12N2O3S2/c14-20(17,18)12-6-3-10(4-7-12)15-13(16)8-5-11-2-1-9-19-11/h1-9H,(H,15,16)(H2,14,17,18)/b8-5+
InChIKeyNLPXBKTYMQNDRV-VMPITWQZSA-N
XLogP2.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.05
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)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 2319752) is (E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of (E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NLPXBKTYMQNDRV-VMPITWQZSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c14-20(17,18)12-6-3-10(4-7-12)15-13(16)8-5-11-2-1-9-19-11/h1-9H,(H,15,16)(H2,14,17,18)/b8-5+.
What are the key properties of (E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 308.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2319752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).