[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate

C15H14N2O5S — CID 9114378

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C15H14N2O5S/c1-9-4-5-10(11(18)7-9)15(21)22-8-13(19)16-17-14(20)12-3-2-6-23-12/h2-7,18H,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyPPYIEKIAAJSCCB-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.38
Rot. Bonds4

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 9114378) 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-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate
PubChem CID9114378
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C15H14N2O5S/c1-9-4-5-10(11(18)7-9)15(21)22-8-13(19)16-17-14(20)12-3-2-6-23-12/h2-7,18H,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyPPYIEKIAAJSCCB-UHFFFAOYSA-N
XLogP1.38
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
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-thiophen-2-ylethyl) 2-hydroxy-4-methylbenzoate
CID 7568498
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylbenzoate
CID 18074659
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-3-methylbenzoate
CID 7416045
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-bromo-2-hydroxybenzoate
CID 25102395
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 18292589
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
CID 4858613
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate
CID 4560871
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18099302
[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611608
N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
CID 9318540
N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide
CID 18287127

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate (CID 9114378) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c(O)c1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is PPYIEKIAAJSCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-9-4-5-10(11(18)7-9)15(21)22-8-13(19)16-17-14(20)12-3-2-6-23-12/h2-7,18H,8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 334.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 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-hydroxy-4-methylbenzoate is sourced from PubChem (CID 9114378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).