[2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate

C13H12N2O2S — CID 142010537

IUPAC[2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate
SMILES[H]/N=C(\OCC(=O)Nc1cccs1)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c14-13(10-5-2-1-3-6-10)17-9-11(16)15-12-7-4-8-18-12/h1-8,14H,9H2,(H,15,16)/b14-13-
InChIKeyFOCPPWJJYLMQIK-YPKPFQOOSA-N
MW260.32 g/mol
LogP2.73
Rot. Bonds4

About [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate

[2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate (PubChem CID 142010537) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate
PubChem CID142010537
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name[2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate
SMILES[H]/N=C(\OCC(=O)Nc1cccs1)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c14-13(10-5-2-1-3-6-10)17-9-11(16)15-12-7-4-8-18-12/h1-8,14H,9H2,(H,15,16)/b14-13-
InChIKeyFOCPPWJJYLMQIK-YPKPFQOOSA-N
XLogP2.73
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate (CID 142010537) is [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate is [H]/N=C(\OCC(=O)Nc1cccs1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate?
The InChIKey is FOCPPWJJYLMQIK-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H12N2O2S/c14-13(10-5-2-1-3-6-10)17-9-11(16)15-12-7-4-8-18-12/h1-8,14H,9H2,(H,15,16)/b14-13-.
What are the key properties of [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate?
[2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate has a molecular weight of 260.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate is sourced from PubChem (CID 142010537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).