[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate

C19H15FN2O4S — CID 8666232

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)NNC(=O)c2ccccc2F)sc2ccccc12
InChIInChI=1S/C19H15FN2O4S/c1-11-12-6-3-5-9-15(12)27-17(11)19(25)26-10-16(23)21-22-18(24)13-7-2-4-8-14(13)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyJAABSLLABMXCMT-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.97
Rot. Bonds4

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate (PubChem CID 8666232) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate
PubChem CID8666232
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)NNC(=O)c2ccccc2F)sc2ccccc12
InChIInChI=1S/C19H15FN2O4S/c1-11-12-6-3-5-9-15(12)27-17(11)19(25)26-10-16(23)21-22-18(24)13-7-2-4-8-14(13)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyJAABSLLABMXCMT-UHFFFAOYSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate (CID 8666232) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate is Cc1c(C(=O)OCC(=O)NNC(=O)c2ccccc2F)sc2ccccc12.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate?
The InChIKey is JAABSLLABMXCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-11-12-6-3-5-9-15(12)27-17(11)19(25)26-10-16(23)21-22-18(24)13-7-2-4-8-14(13)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 8666232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).