N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide

C14H13FN2OS — CID 7460607

IUPACN-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESC/C(=N\NC(=O)Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2OS/c1-10(11-4-6-12(15)7-5-11)16-17-14(18)9-13-3-2-8-19-13/h2-8H,9H2,1H3,(H,17,18)/b16-10+
InChIKeyARMDFFLBOFFJGZ-MHWRWJLKSA-N
MW276.34 g/mol
LogP2.97
Rot. Bonds4

About N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 7460607) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID7460607
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC NameN-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESC/C(=N\NC(=O)Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2OS/c1-10(11-4-6-12(15)7-5-11)16-17-14(18)9-13-3-2-8-19-13/h2-8H,9H2,1H3,(H,17,18)/b16-10+
InChIKeyARMDFFLBOFFJGZ-MHWRWJLKSA-N
XLogP2.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide (CID 7460607) is N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide is C/C(=N\NC(=O)Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is ARMDFFLBOFFJGZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-10(11-4-6-12(15)7-5-11)16-17-14(18)9-13-3-2-8-19-13/h2-8H,9H2,1H3,(H,17,18)/b16-10+.
What are the key properties of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 276.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7460607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).