2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

C19H22N2O2S — CID 51181647

IUPAC2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCC(=O)N1CCCC1
InChIInChI=1S/C19H22N2O2S/c22-18(20-10-9-19(23)21-11-3-4-12-21)14-24-17-8-7-15-5-1-2-6-16(15)13-17/h1-2,5-8,13H,3-4,9-12,14H2,(H,20,22)
InChIKeyDZMLIGDCOJVPOX-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.06
Rot. Bonds6

About 2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 51181647) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID51181647
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCC(=O)N1CCCC1
InChIInChI=1S/C19H22N2O2S/c22-18(20-10-9-19(23)21-11-3-4-12-21)14-24-17-8-7-15-5-1-2-6-16(15)13-17/h1-2,5-8,13H,3-4,9-12,14H2,(H,20,22)
InChIKeyDZMLIGDCOJVPOX-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.06
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-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (CID 51181647) is 2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is O=C(CSc1ccc2ccccc2c1)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is DZMLIGDCOJVPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18(20-10-9-19(23)21-11-3-4-12-21)14-24-17-8-7-15-5-1-2-6-16(15)13-17/h1-2,5-8,13H,3-4,9-12,14H2,(H,20,22).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
2-naphthalen-2-ylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.06, 6 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-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 51181647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).