[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate

C15H14N2O5S — CID 3876775

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C15H14N2O5S/c18-13(16-17-15(20)12-7-4-8-23-12)9-22-14(19)10-21-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)(H,17,20)
InChIKeyNJJWGQUITVADHM-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.13
Rot. Bonds6

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate (PubChem CID 3876775) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
PubChem CID3876775
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C15H14N2O5S/c18-13(16-17-15(20)12-7-4-8-23-12)9-22-14(19)10-21-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)(H,17,20)
InChIKeyNJJWGQUITVADHM-UHFFFAOYSA-N
XLogP1.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.13
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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Related Compounds

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
CID 35933556
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2082274
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylbenzoate
CID 18074659
N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
CID 24538901
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 40621307
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7994898

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate (CID 3876775) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate?
The InChIKey is NJJWGQUITVADHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c18-13(16-17-15(20)12-7-4-8-23-12)9-22-14(19)10-21-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)(H,17,20).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate has a molecular weight of 334.35 g/mol, XLogP of 1.13, 6 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-phenoxyacetate is sourced from PubChem (CID 3876775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).