[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate

C15H14N2O4S — CID 2494313

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c18-13(9-21-14(19)8-11-6-7-22-10-11)16-17-15(20)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,16,18)(H,17,20)
InChIKeyXZHWLBCAJNBXNT-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.29
Rot. Bonds5

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2494313) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2494313
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c18-13(9-21-14(19)8-11-6-7-22-10-11)16-17-15(20)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,16,18)(H,17,20)
InChIKeyXZHWLBCAJNBXNT-UHFFFAOYSA-N
XLogP1.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2494313) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is XZHWLBCAJNBXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-13(9-21-14(19)8-11-6-7-22-10-11)16-17-15(20)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,16,18)(H,17,20).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 318.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2494313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).