phenacyl 2-naphthalen-2-ylsulfanylacetate

C20H16O3S — CID 2380984

IUPACphenacyl 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccccc1
InChIInChI=1S/C20H16O3S/c21-19(16-7-2-1-3-8-16)13-23-20(22)14-24-18-11-10-15-6-4-5-9-17(15)12-18/h1-12H,13-14H2
InChIKeyPKLFZHJWUTZZRT-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.36
Rot. Bonds6

About phenacyl 2-naphthalen-2-ylsulfanylacetate

phenacyl 2-naphthalen-2-ylsulfanylacetate (PubChem CID 2380984) has the molecular formula C20H16O3S and a molecular weight of 336.41 g/mol. Its IUPAC name is phenacyl 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Namephenacyl 2-naphthalen-2-ylsulfanylacetate
PubChem CID2380984
Molecular FormulaC20H16O3S
Molecular Weight336.41 g/mol
Exact Mass336.08
IUPAC Namephenacyl 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccccc1
InChIInChI=1S/C20H16O3S/c21-19(16-7-2-1-3-8-16)13-23-20(22)14-24-18-11-10-15-6-4-5-9-17(15)12-18/h1-12H,13-14H2
InChIKeyPKLFZHJWUTZZRT-UHFFFAOYSA-N
XLogP4.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4569482
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642063
[2-(1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2122419
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 7795777
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795699
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 16525634
1-(4-iodophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43218764
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044
[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642247
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642798

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of phenacyl 2-naphthalen-2-ylsulfanylacetate (CID 2380984) is phenacyl 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for phenacyl 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for phenacyl 2-naphthalen-2-ylsulfanylacetate is O=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is PKLFZHJWUTZZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3S/c21-19(16-7-2-1-3-8-16)13-23-20(22)14-24-18-11-10-15-6-4-5-9-17(15)12-18/h1-12H,13-14H2.
What are the key properties of phenacyl 2-naphthalen-2-ylsulfanylacetate?
phenacyl 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 336.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 2380984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).