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

C16H16N2O4S — CID 3398800

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCNC(=O)NC(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O4S/c1-17-16(21)18-14(19)9-22-15(20)10-23-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3,(H2,17,18,19,21)
InChIKeyQOAPSTBPHWBPPO-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.93
Rot. Bonds5

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

[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 3398800) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID3398800
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCNC(=O)NC(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O4S/c1-17-16(21)18-14(19)9-22-15(20)10-23-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3,(H2,17,18,19,21)
InChIKeyQOAPSTBPHWBPPO-UHFFFAOYSA-N
XLogP1.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507436
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795814
[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642247
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 16525634
[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 32508024
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4569482
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548083
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 11922951
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642063
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate
CID 5125837

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (CID 3398800) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is CNC(=O)NC(=O)COC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is QOAPSTBPHWBPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-17-16(21)18-14(19)9-22-15(20)10-23-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3,(H2,17,18,19,21).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 332.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 3398800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).