[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate

C22H17FN2O4S — CID 30993359

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C(=C/c1ccccc1)c1cccs1)NNC(=O)c1ccccc1F
InChIInChI=1S/C22H17FN2O4S/c23-18-10-5-4-9-16(18)21(27)25-24-20(26)14-29-22(28)17(19-11-6-12-30-19)13-15-7-2-1-3-8-15/h1-13H,14H2,(H,24,26)(H,25,27)/b17-13+
InChIKeyRFVOTVHULFFPDZ-GHRIWEEISA-N
MW424.45 g/mol
LogP3.43
Rot. Bonds6

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate (PubChem CID 30993359) has the molecular formula C22H17FN2O4S and a molecular weight of 424.45 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate
PubChem CID30993359
Molecular FormulaC22H17FN2O4S
Molecular Weight424.45 g/mol
Exact Mass424.09
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C(=C/c1ccccc1)c1cccs1)NNC(=O)c1ccccc1F
InChIInChI=1S/C22H17FN2O4S/c23-18-10-5-4-9-16(18)21(27)25-24-20(26)14-29-22(28)17(19-11-6-12-30-19)13-15-7-2-1-3-8-15/h1-13H,14H2,(H,24,26)(H,25,27)/b17-13+
InChIKeyRFVOTVHULFFPDZ-GHRIWEEISA-N
XLogP3.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-fluorophenyl)-2-oxoethyl] 2,3-dithiophen-2-ylprop-2-enoate
CID 3505417
[2-(2,6-difluoroanilino)-2-oxoethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate
CID 8660745
benzyl (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate
CID 8852180
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate
CID 29407018
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725646
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylbenzoate
CID 18074659
[2-(2,4-difluoroanilino)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819708
2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324993
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] adamantane-1-carboxylate
CID 7514436
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146659

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate (CID 30993359) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate is O=C(COC(=O)/C(=C/c1ccccc1)c1cccs1)NNC(=O)c1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate?
The InChIKey is RFVOTVHULFFPDZ-GHRIWEEISA-N. The full InChI is InChI=1S/C22H17FN2O4S/c23-18-10-5-4-9-16(18)21(27)25-24-20(26)14-29-22(28)17(19-11-6-12-30-19)13-15-7-2-1-3-8-15/h1-13H,14H2,(H,24,26)(H,25,27)/b17-13+.
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate has a molecular weight of 424.45 g/mol, XLogP of 3.43, 6 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] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 30993359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).