2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid

C15H14N2O4S — CID 6948087

IUPAC2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid
SMILESC/C(=N\OCC(=O)Nc1ccccc1C(=O)O)c1cccs1
InChIInChI=1S/C15H14N2O4S/c1-10(13-7-4-8-22-13)17-21-9-14(18)16-12-6-3-2-5-11(12)15(19)20/h2-8H,9H2,1H3,(H,16,18)(H,19,20)/b17-10+
InChIKeyJALSLBYAWNKONG-LICLKQGHSA-N
MW318.35 g/mol
LogP2.83
Rot. Bonds6

About 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid

2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid (PubChem CID 6948087) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid
PubChem CID6948087
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid
SMILESC/C(=N\OCC(=O)Nc1ccccc1C(=O)O)c1cccs1
InChIInChI=1S/C15H14N2O4S/c1-10(13-7-4-8-22-13)17-21-9-14(18)16-12-6-3-2-5-11(12)15(19)20/h2-8H,9H2,1H3,(H,16,18)(H,19,20)/b17-10+
InChIKeyJALSLBYAWNKONG-LICLKQGHSA-N
XLogP2.83
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid 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 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid (CID 6948087) is 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid is C/C(=N\OCC(=O)Nc1ccccc1C(=O)O)c1cccs1.
What is the InChIKey of 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid?
The InChIKey is JALSLBYAWNKONG-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-10(13-7-4-8-22-13)17-21-9-14(18)16-12-6-3-2-5-11(12)15(19)20/h2-8H,9H2,1H3,(H,16,18)(H,19,20)/b17-10+.
What are the key properties of 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid?
2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid has a molecular weight of 318.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid is sourced from PubChem (CID 6948087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).