(E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide

C13H10FNOS — CID 5377165

IUPAC(E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
SMILESNC(=O)/C(=C/c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C13H10FNOS/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-8H,(H2,15,16)/b12-8+
InChIKeyGPJHGKWIXQCZDZ-XYOKQWHBSA-N
MW247.29 g/mol
LogP2.91
Rot. Bonds3

About (E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide

(E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 5377165) has the molecular formula C13H10FNOS and a molecular weight of 247.29 g/mol. Its IUPAC name is (E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID5377165
Molecular FormulaC13H10FNOS
Molecular Weight247.29 g/mol
Exact Mass247.05
IUPAC Name(E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
SMILESNC(=O)/C(=C/c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C13H10FNOS/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-8H,(H2,15,16)/b12-8+
InChIKeyGPJHGKWIXQCZDZ-XYOKQWHBSA-N
XLogP2.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide (CID 5377165) is (E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide is NC(=O)/C(=C/c1cccs1)c1ccc(F)cc1.
What is the InChIKey of (E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is GPJHGKWIXQCZDZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H10FNOS/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-8H,(H2,15,16)/b12-8+.
What are the key properties of (E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 247.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 5377165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).