2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C18H20N2O2S — CID 51325569

IUPAC2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCC(=O)N1CCCC1
InChIInChI=1S/C18H20N2O2S/c21-17(19-12-18(22)20-9-3-4-10-20)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,(H,19,21)
InChIKeyYAFQYKPAHNREGB-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.67
Rot. Bonds5

About 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 51325569) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID51325569
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCC(=O)N1CCCC1
InChIInChI=1S/C18H20N2O2S/c21-17(19-12-18(22)20-9-3-4-10-20)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,(H,19,21)
InChIKeyYAFQYKPAHNREGB-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 51325569) is 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is O=C(CSc1ccc2ccccc2c1)NCC(=O)N1CCCC1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is YAFQYKPAHNREGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-17(19-12-18(22)20-9-3-4-10-20)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,(H,19,21).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 51325569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).