N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide

C15H16N2O2S — CID 6879213

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-2-19-13-7-5-12(6-8-13)11-16-17-15(18)10-14-4-3-9-20-14/h3-9,11H,2,10H2,1H3,(H,17,18)/b16-11+
InChIKeyMWUOOTBOZAPXJU-LFIBNONCSA-N
MW288.37 g/mol
LogP2.84
Rot. Bonds6

About N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 6879213) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID6879213
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-2-19-13-7-5-12(6-8-13)11-16-17-15(18)10-14-4-3-9-20-14/h3-9,11H,2,10H2,1H3,(H,17,18)/b16-11+
InChIKeyMWUOOTBOZAPXJU-LFIBNONCSA-N
XLogP2.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 6879213) is N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide is CCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is MWUOOTBOZAPXJU-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-19-13-7-5-12(6-8-13)11-16-17-15(18)10-14-4-3-9-20-14/h3-9,11H,2,10H2,1H3,(H,17,18)/b16-11+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 288.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6879213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).