(E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide

C14H12N2OS2 — CID 738447

IUPAC(E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1
InChIInChI=1S/C14H12N2OS2/c17-13(9-8-12-7-4-10-19-12)16-14(18)15-11-5-2-1-3-6-11/h1-10H,(H2,15,16,17,18)/b9-8+
InChIKeyLHOHITXIGKYVHC-CMDGGOBGSA-N
MW288.40 g/mol
LogP3.27
Rot. Bonds3

About (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 738447) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID738447
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name(E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1
InChIInChI=1S/C14H12N2OS2/c17-13(9-8-12-7-4-10-19-12)16-14(18)15-11-5-2-1-3-6-11/h1-10H,(H2,15,16,17,18)/b9-8+
InChIKeyLHOHITXIGKYVHC-CMDGGOBGSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide (CID 738447) is (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1.
What is the InChIKey of (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is LHOHITXIGKYVHC-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12N2OS2/c17-13(9-8-12-7-4-10-19-12)16-14(18)15-11-5-2-1-3-6-11/h1-10H,(H2,15,16,17,18)/b9-8+.
What are the key properties of (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 288.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(phenylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 738447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).