[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate

C14H12N2O6S — CID 18077469

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NNC(=O)c1cccs1
InChIInChI=1S/C14H12N2O6S/c17-8-3-4-9(10(18)6-8)14(21)22-7-12(19)15-16-13(20)11-2-1-5-23-11/h1-6,17-18H,7H2,(H,15,19)(H,16,20)
InChIKeyCJLSRYRUWVSDCD-UHFFFAOYSA-N
MW336.33 g/mol
LogP0.78
Rot. Bonds4

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate (PubChem CID 18077469) has the molecular formula C14H12N2O6S and a molecular weight of 336.33 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate
PubChem CID18077469
Molecular FormulaC14H12N2O6S
Molecular Weight336.33 g/mol
Exact Mass336.04
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NNC(=O)c1cccs1
InChIInChI=1S/C14H12N2O6S/c17-8-3-4-9(10(18)6-8)14(21)22-7-12(19)15-16-13(20)11-2-1-5-23-11/h1-6,17-18H,7H2,(H,15,19)(H,16,20)
InChIKeyCJLSRYRUWVSDCD-UHFFFAOYSA-N
XLogP0.78
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 50.78
H-Bond Donors ≤ 54
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-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-3-methylbenzoate
CID 7416045
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate
CID 9114378
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-bromo-2-hydroxybenzoate
CID 25102395
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate
CID 2100124
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(difluoromethoxy)benzoate
CID 2572237
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate
CID 7639383
[2-[2-(2-Fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870755
N'-(2,4-dimethoxybenzoyl)thiophene-2-carbohydrazide
CID 809183
(Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetohydrazide
CID 6532698
2-Hydroxy-4-(thiophen-3-ylmethoxy)benzamide
CID 10562574
2,4-Dimethoxybenzamide;thiophene-2-carboxylic acid
CID 174535152
2,4-Dimethoxybenzamide;3-methylthiophene-2-carboxylic acid
CID 174781114

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate (CID 18077469) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate?
The InChIKey is CJLSRYRUWVSDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6S/c17-8-3-4-9(10(18)6-8)14(21)22-7-12(19)15-16-13(20)11-2-1-5-23-11/h1-6,17-18H,7H2,(H,15,19)(H,16,20).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate has a molecular weight of 336.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 4 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] 2,4-dihydroxybenzoate is sourced from PubChem (CID 18077469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).