[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

C16H14N2O4S — CID 2488930

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C16H14N2O4S/c17-16(21)11-3-5-12(6-4-11)18-14(19)10-22-15(20)8-7-13-2-1-9-23-13/h1-9H,10H2,(H2,17,21)(H,18,19)/b8-7+
InChIKeyJOPFPWSTXMAWKZ-BQYQJAHWSA-N
MW330.37 g/mol
LogP2.04
Rot. Bonds6

About [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 2488930) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID2488930
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C16H14N2O4S/c17-16(21)11-3-5-12(6-4-11)18-14(19)10-22-15(20)8-7-13-2-1-9-23-13/h1-9H,10H2,(H2,17,21)(H,18,19)/b8-7+
InChIKeyJOPFPWSTXMAWKZ-BQYQJAHWSA-N
XLogP2.04
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate 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-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 2488930) is [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is JOPFPWSTXMAWKZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14N2O4S/c17-16(21)11-3-5-12(6-4-11)18-14(19)10-22-15(20)8-7-13-2-1-9-23-13/h1-9H,10H2,(H2,17,21)(H,18,19)/b8-7+.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 330.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2488930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).