N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide

C18H16FN3O3S — CID 25435637

IUPACN'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c19-14-5-7-15(8-6-14)26-10-9-17(23)21-22-18(24)12-25-16-4-2-1-3-13(16)11-20/h1-8H,9-10,12H2,(H,21,23)(H,22,24)
InChIKeyLQYPTGSHDAGOOI-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.41
Rot. Bonds7

About N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide

N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide (PubChem CID 25435637) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide
PubChem CID25435637
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c19-14-5-7-15(8-6-14)26-10-9-17(23)21-22-18(24)12-25-16-4-2-1-3-13(16)11-20/h1-8H,9-10,12H2,(H,21,23)(H,22,24)
InChIKeyLQYPTGSHDAGOOI-UHFFFAOYSA-N
XLogP2.41
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.41
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-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 24645668
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
2-[2-(4-chlorophenyl)sulfanylethoxy]benzonitrile
CID 43213624
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide
CID 75403349
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8640098
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 112793555
N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide
CID 35947456
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide?
The IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide (CID 25435637) is N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide?
The canonical SMILES for N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide is N#Cc1ccccc1OCC(=O)NNC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide?
The InChIKey is LQYPTGSHDAGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-14-5-7-15(8-6-14)26-10-9-17(23)21-22-18(24)12-25-16-4-2-1-3-13(16)11-20/h1-8H,9-10,12H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide?
N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide has a molecular weight of 373.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 25435637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).