N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide

C20H17FN2O3S — CID 24641286

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
SMILESO=C(COc1cccc2ccccc12)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C20H17FN2O3S/c21-16-9-3-4-11-18(16)27-13-20(25)23-22-19(24)12-26-17-10-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyXTMLHIUGBPEZQV-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.30
Rot. Bonds6

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide (PubChem CID 24641286) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
PubChem CID24641286
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
SMILESO=C(COc1cccc2ccccc12)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C20H17FN2O3S/c21-16-9-3-4-11-18(16)27-13-20(25)23-22-19(24)12-26-17-10-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyXTMLHIUGBPEZQV-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 9428838
N'-(2-naphthalen-1-yloxyacetyl)-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502710
N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide
CID 41264220
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 24641294
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969743
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
CID 9320723
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 42976197
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 9417849
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide (CID 24641286) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide is O=C(COc1cccc2ccccc12)NNC(=O)CSc1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide?
The InChIKey is XTMLHIUGBPEZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-16-9-3-4-11-18(16)27-13-20(25)23-22-19(24)12-26-17-10-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide has a molecular weight of 384.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide is sourced from PubChem (CID 24641286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).