N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide

C15H14N2OS — CID 6880429

IUPACN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C15H14N2OS/c18-15(12-14-9-5-11-19-14)17-16-10-4-8-13-6-2-1-3-7-13/h1-11H,12H2,(H,17,18)/b8-4+,16-10+
InChIKeyKEXUVSNMNGSJOK-PVZXKMMOSA-N
MW270.36 g/mol
LogP3.11
Rot. Bonds5

About N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide (PubChem CID 6880429) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
PubChem CID6880429
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C15H14N2OS/c18-15(12-14-9-5-11-19-14)17-16-10-4-8-13-6-2-1-3-7-13/h1-11H,12H2,(H,17,18)/b8-4+,16-10+
InChIKeyKEXUVSNMNGSJOK-PVZXKMMOSA-N
XLogP3.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.11
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'}

Analyze N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-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)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide (CID 6880429) is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
The InChIKey is KEXUVSNMNGSJOK-PVZXKMMOSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15(12-14-9-5-11-19-14)17-16-10-4-8-13-6-2-1-3-7-13/h1-11H,12H2,(H,17,18)/b8-4+,16-10+.
What are the key properties of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide has a molecular weight of 270.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6880429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).