(E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide

C14H14N2O3S2 — CID 6026898

IUPAC(E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H14N2O3S2/c1-10-4-6-12(21(15,18)19)9-13(10)16-14(17)7-5-11-3-2-8-20-11/h2-9H,1H3,(H,16,17)(H2,15,18,19)/b7-5+
InChIKeyQCLDKACNLLRAEG-FNORWQNLSA-N
MW322.41 g/mol
LogP2.36
Rot. Bonds4

About (E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 6026898) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID6026898
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name(E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H14N2O3S2/c1-10-4-6-12(21(15,18)19)9-13(10)16-14(17)7-5-11-3-2-8-20-11/h2-9H,1H3,(H,16,17)(H2,15,18,19)/b7-5+
InChIKeyQCLDKACNLLRAEG-FNORWQNLSA-N
XLogP2.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.36
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-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 6026898) is (E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is QCLDKACNLLRAEG-FNORWQNLSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-10-4-6-12(21(15,18)19)9-13(10)16-14(17)7-5-11-3-2-8-20-11/h2-9H,1H3,(H,16,17)(H2,15,18,19)/b7-5+.
What are the key properties of (E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-5-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6026898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).