[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate

C15H13ClN2O5S — CID 2569952

IUPAC[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccs1
InChIInChI=1S/C15H13ClN2O5S/c1-22-11-5-4-9(16)7-10(11)14(20)18-17-13(19)8-23-15(21)12-3-2-6-24-12/h2-7H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyUAFCLALSPMITEH-UHFFFAOYSA-N
MW368.80 g/mol
LogP2.03
Rot. Bonds5

About [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2569952) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2569952
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccs1
InChIInChI=1S/C15H13ClN2O5S/c1-22-11-5-4-9(16)7-10(11)14(20)18-17-13(19)8-23-15(21)12-3-2-6-24-12/h2-7H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyUAFCLALSPMITEH-UHFFFAOYSA-N
XLogP2.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate (CID 2569952) is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate is COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is UAFCLALSPMITEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c1-22-11-5-4-9(16)7-10(11)14(20)18-17-13(19)8-23-15(21)12-3-2-6-24-12/h2-7H,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate?
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 368.80 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2569952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).