N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide

C15H16N2OS — CID 2875565

IUPACN-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c1-12(13-7-3-2-4-8-13)17-14(18)11-19-15-9-5-6-10-16-15/h2-10,12H,11H2,1H3,(H,17,18)
InChIKeyHZHTUZCZIRRQLH-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.05
Rot. Bonds5

About N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide

N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2875565) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID2875565
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c1-12(13-7-3-2-4-8-13)17-14(18)11-19-15-9-5-6-10-16-15/h2-10,12H,11H2,1H3,(H,17,18)
InChIKeyHZHTUZCZIRRQLH-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide (CID 2875565) is N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide is CC(NC(=O)CSc1ccccn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is HZHTUZCZIRRQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12(13-7-3-2-4-8-13)17-14(18)11-19-15-9-5-6-10-16-15/h2-10,12H,11H2,1H3,(H,17,18).
What are the key properties of N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide?
N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 272.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2875565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).