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

C14H10Cl2N2O4S — CID 4858613

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C14H10Cl2N2O4S/c15-8-3-4-9(10(16)6-8)14(21)22-7-12(19)17-18-13(20)11-2-1-5-23-11/h1-6H,7H2,(H,17,19)(H,18,20)
InChIKeySUYUNJALUCZMDH-UHFFFAOYSA-N
MW373.22 g/mol
LogP2.67
Rot. Bonds4

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

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate (PubChem CID 4858613) has the molecular formula C14H10Cl2N2O4S and a molecular weight of 373.22 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
PubChem CID4858613
Molecular FormulaC14H10Cl2N2O4S
Molecular Weight373.22 g/mol
Exact Mass371.97
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C14H10Cl2N2O4S/c15-8-3-4-9(10(16)6-8)14(21)22-7-12(19)17-18-13(20)11-2-1-5-23-11/h1-6H,7H2,(H,17,19)(H,18,20)
InChIKeySUYUNJALUCZMDH-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-4-methylbenzoate
CID 9114378
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylbenzoate
CID 18074659
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-bromo-2-hydroxybenzoate
CID 25102395
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-3-methylbenzoate
CID 7416045
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879659
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate
CID 4560871
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2531583
(3,3-dimethyl-2-oxobutyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879705
2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 7613237
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate (CID 4858613) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate is O=C(COC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate?
The InChIKey is SUYUNJALUCZMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4S/c15-8-3-4-9(10(16)6-8)14(21)22-7-12(19)17-18-13(20)11-2-1-5-23-11/h1-6H,7H2,(H,17,19)(H,18,20).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate has a molecular weight of 373.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 4858613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).