[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate

C15H13BrN2O5S — CID 4560871

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate
SMILESCOc1ccc(Br)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1
InChIInChI=1S/C15H13BrN2O5S/c1-22-9-4-5-11(16)10(7-9)15(21)23-8-13(19)17-18-14(20)12-3-2-6-24-12/h2-7H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyZQVZKGIKZAWAIT-UHFFFAOYSA-N
MW413.25 g/mol
LogP2.14
Rot. Bonds5

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate (PubChem CID 4560871) has the molecular formula C15H13BrN2O5S and a molecular weight of 413.25 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate
PubChem CID4560871
Molecular FormulaC15H13BrN2O5S
Molecular Weight413.25 g/mol
Exact Mass411.97
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate
SMILESCOc1ccc(Br)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1
InChIInChI=1S/C15H13BrN2O5S/c1-22-9-4-5-11(16)10(7-9)15(21)23-8-13(19)17-18-14(20)12-3-2-6-24-12/h2-7H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyZQVZKGIKZAWAIT-UHFFFAOYSA-N
XLogP2.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-bromo-2-hydroxybenzoate
CID 25102395
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylbenzoate
CID 18074659
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2531023
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate
CID 9114378
[2-(4-methoxyanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2530910
[2-(2-acetylanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2530706
[2-oxo-2-(propylamino)ethyl] 2-bromo-5-methoxybenzoate
CID 2524308
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
CID 4858613
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-3-methylbenzoate
CID 7416045
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate
CID 7442140
[2-(2-methylanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2530890

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate (CID 4560871) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate is COc1ccc(Br)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate?
The InChIKey is ZQVZKGIKZAWAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O5S/c1-22-9-4-5-11(16)10(7-9)15(21)23-8-13(19)17-18-14(20)12-3-2-6-24-12/h2-7H,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate has a molecular weight of 413.25 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate is sourced from PubChem (CID 4560871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).