[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

C14H12BrN3O6S — CID 2082274

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccs1
InChIInChI=1S/C14H12BrN3O6S/c15-10-4-3-8(24-10)13(21)16-6-12(20)23-7-11(19)17-18-14(22)9-2-1-5-25-9/h1-5H,6-7H2,(H,16,21)(H,17,19)(H,18,22)
InChIKeyUWGOSXMHSRPJOE-UHFFFAOYSA-N
MW430.24 g/mol
LogP0.84
Rot. Bonds6

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 2082274) has the molecular formula C14H12BrN3O6S and a molecular weight of 430.24 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID2082274
Molecular FormulaC14H12BrN3O6S
Molecular Weight430.24 g/mol
Exact Mass428.96
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccs1
InChIInChI=1S/C14H12BrN3O6S/c15-10-4-3-8(24-10)13(21)16-6-12(20)23-7-11(19)17-18-14(22)9-2-1-5-25-9/h1-5H,6-7H2,(H,16,21)(H,17,19)(H,18,22)
InChIKeyUWGOSXMHSRPJOE-UHFFFAOYSA-N
XLogP0.84
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.24
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
CID 3876775
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2457418
[2-(4-ethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883995
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7884019
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883962
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662439
N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 40730667
5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide
CID 41088369
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 16598721

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 2082274) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is UWGOSXMHSRPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O6S/c15-10-4-3-8(24-10)13(21)16-6-12(20)23-7-11(19)17-18-14(22)9-2-1-5-25-9/h1-5H,6-7H2,(H,16,21)(H,17,19)(H,18,22).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 430.24 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 2082274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).