N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide

C13H12N2OS — CID 6878559

IUPACN-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1ccccc1
InChIInChI=1S/C13H12N2OS/c16-13(9-12-7-4-8-17-12)15-14-10-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16)/b14-10+
InChIKeyKHJWSCGGMLAHBS-GXDHUFHOSA-N
MW244.32 g/mol
LogP2.44
Rot. Bonds4

About N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 6878559) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide
PubChem CID6878559
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1ccccc1
InChIInChI=1S/C13H12N2OS/c16-13(9-12-7-4-8-17-12)15-14-10-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16)/b14-10+
InChIKeyKHJWSCGGMLAHBS-GXDHUFHOSA-N
XLogP2.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.44
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)-benzylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide (CID 6878559) is N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is KHJWSCGGMLAHBS-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-13(9-12-7-4-8-17-12)15-14-10-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16)/b14-10+.
What are the key properties of N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 244.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6878559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).