[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

C22H19NO4S — CID 8642247

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C22H19NO4S/c1-15(24)19-8-4-5-9-20(19)23-21(25)13-27-22(26)14-28-18-11-10-16-6-2-3-7-17(16)12-18/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyXFDXTEBRKWLLTH-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.32
Rot. Bonds7

About [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 8642247) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID8642247
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C22H19NO4S/c1-15(24)19-8-4-5-9-20(19)23-21(25)13-27-22(26)14-28-18-11-10-16-6-2-3-7-17(16)12-18/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyXFDXTEBRKWLLTH-UHFFFAOYSA-N
XLogP4.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486754
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548083
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794265
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8551090
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642063
N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 2561582
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795675
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate
CID 7872009
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4569482
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (CID 8642247) is [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is CC(=O)c1ccccc1NC(=O)COC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is XFDXTEBRKWLLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-15(24)19-8-4-5-9-20(19)23-21(25)13-27-22(26)14-28-18-11-10-16-6-2-3-7-17(16)12-18/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 393.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 8642247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).