2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide

C14H12N2O2S — CID 2205340

IUPAC2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C/C(=O)c1cccs1
InChIInChI=1S/C14H12N2O2S/c15-14(18)10-4-1-2-5-11(10)16-8-7-12(17)13-6-3-9-19-13/h1-9,16H,(H2,15,18)/b8-7+
InChIKeyQDNYQUMEJABBKM-BQYQJAHWSA-N
MW272.33 g/mol
LogP2.66
Rot. Bonds5

About 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide

2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide (PubChem CID 2205340) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide
PubChem CID2205340
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C/C(=O)c1cccs1
InChIInChI=1S/C14H12N2O2S/c15-14(18)10-4-1-2-5-11(10)16-8-7-12(17)13-6-3-9-19-13/h1-9,16H,(H2,15,18)/b8-7+
InChIKeyQDNYQUMEJABBKM-BQYQJAHWSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide (CID 2205340) is 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide is NC(=O)c1ccccc1N/C=C/C(=O)c1cccs1.
What is the InChIKey of 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide?
The InChIKey is QDNYQUMEJABBKM-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-14(18)10-4-1-2-5-11(10)16-8-7-12(17)13-6-3-9-19-13/h1-9,16H,(H2,15,18)/b8-7+.
What are the key properties of 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide?
2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide has a molecular weight of 272.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzamide is sourced from PubChem (CID 2205340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).