(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate

C14H13NO3S — CID 2096952

IUPAC(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
SMILESNC(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C14H13NO3S/c15-13(16)8-18-14(17)9-19-12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H2,15,16)
InChIKeyBMKPETIUFJUTBB-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.96
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate

(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate (PubChem CID 2096952) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
PubChem CID2096952
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
SMILESNC(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C14H13NO3S/c15-13(16)8-18-14(17)9-19-12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H2,15,16)
InChIKeyBMKPETIUFJUTBB-UHFFFAOYSA-N
XLogP1.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4569482
(2-amino-2-oxoethyl) 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486788
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642063
(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 7795777
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 16525634
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795699
[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
[2-(1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2122419
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795799

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate (CID 2096952) is (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate is NC(=O)COC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is BMKPETIUFJUTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c15-13(16)8-18-14(17)9-19-12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H2,15,16).
What are the key properties of (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate?
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 275.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 2096952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).