[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate

C15H13BrN2O4S — CID 7968657

IUPAC[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrN2O4S/c16-12-4-2-1-3-11(12)15(21)18-17-13(19)8-22-14(20)7-10-5-6-23-9-10/h1-6,9H,7-8H2,(H,17,19)(H,18,21)
InChIKeyUWQULIKGAWMODC-UHFFFAOYSA-N
MW397.25 g/mol
LogP2.06
Rot. Bonds5

About [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 7968657) has the molecular formula C15H13BrN2O4S and a molecular weight of 397.25 g/mol. Its IUPAC name is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID7968657
Molecular FormulaC15H13BrN2O4S
Molecular Weight397.25 g/mol
Exact Mass395.98
IUPAC Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrN2O4S/c16-12-4-2-1-3-11(12)15(21)18-17-13(19)8-22-14(20)7-10-5-6-23-9-10/h1-6,9H,7-8H2,(H,17,19)(H,18,21)
InChIKeyUWQULIKGAWMODC-UHFFFAOYSA-N
XLogP2.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 52.06
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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Related Compounds

2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide
CID 29264655
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080472
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848136
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethylbenzoate
CID 7775563
[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591089
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080532
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-fluorobenzoate
CID 7478277
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate
CID 7670728
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2536174
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648433

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 7968657) is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccccc1Br.
What is the InChIKey of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is UWQULIKGAWMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4S/c16-12-4-2-1-3-11(12)15(21)18-17-13(19)8-22-14(20)7-10-5-6-23-9-10/h1-6,9H,7-8H2,(H,17,19)(H,18,21).
What are the key properties of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 397.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 7968657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).