[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
SMILESCC1=CC(=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CS2)O
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
MW334.30 g/mol
LogP2.90
Rot. Bonds5

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 334.30 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 Weight334.30 g/mol
Exact Mass334.06
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate
SMILESCC1=CC(=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CS2)O
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
XLogP2.90
TPSA133.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity459

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.90
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-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dihydroxybenzoate
CID 18077469
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-3-methylbenzoate
CID 7416045
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(2-methylphenoxy)propanoate
CID 9139968
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-bromo-2-hydroxybenzoate
CID 25102395
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-hydroxy-4-methylbenzoate
CID 2611612
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567477
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate
CID 7639383
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 16277938
N'-(2-hydroxy-5-methoxybenzoyl)thiophene-2-carbohydrazide
CID 59999792
N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 143283795
N'-[2-(2,5-dimethylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 920919
[2-Oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2107198

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 CC1=CC(=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CS2)O.
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 334.30 g/mol, XLogP of 2.90, 5 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).