(2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate

C18H19NO3S — CID 2371737

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)OCC(=O)N1CCCC1
InChIInChI=1S/C18H19NO3S/c20-17(19-9-3-4-10-19)12-22-18(21)13-23-16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-8,11H,3-4,9-10,12-13H2
InChIKeyKZCCUHRECRKOID-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.10
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate (PubChem CID 2371737) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate
PubChem CID2371737
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)OCC(=O)N1CCCC1
InChIInChI=1S/C18H19NO3S/c20-17(19-9-3-4-10-19)12-22-18(21)13-23-16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-8,11H,3-4,9-10,12-13H2
InChIKeyKZCCUHRECRKOID-UHFFFAOYSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate (CID 2371737) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate is O=C(CSc1ccc2ccccc2c1)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is KZCCUHRECRKOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-17(19-9-3-4-10-19)12-22-18(21)13-23-16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-8,11H,3-4,9-10,12-13H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 329.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 2371737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).