2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide

C17H14N2OS — CID 2368480

IUPAC2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ccncc1
InChIInChI=1S/C17H14N2OS/c20-17(19-15-7-9-18-10-8-15)12-21-16-6-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,18,19,20)
InChIKeyYAYIQENNTMAGSX-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.97
Rot. Bonds4

About 2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide

2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide (PubChem CID 2368480) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide
PubChem CID2368480
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ccncc1
InChIInChI=1S/C17H14N2OS/c20-17(19-15-7-9-18-10-8-15)12-21-16-6-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,18,19,20)
InChIKeyYAYIQENNTMAGSX-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.97
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-pyridin-4-ylacetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide (CID 2368480) is 2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide is O=C(CSc1ccc2ccccc2c1)Nc1ccncc1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide?
The InChIKey is YAYIQENNTMAGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(19-15-7-9-18-10-8-15)12-21-16-6-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,18,19,20).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide?
2-naphthalen-2-ylsulfanyl-N-pyridin-4-ylacetamide has a molecular weight of 294.38 g/mol, XLogP of 3.97, 4 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-pyridin-4-ylacetamide is sourced from PubChem (CID 2368480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).