N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide

C16H18N2OS — CID 25342928

IUPACN-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide
SMILESCc1cccc(NC(=O)CSCCc2ccccc2)n1
InChIInChI=1S/C16H18N2OS/c1-13-6-5-9-15(17-13)18-16(19)12-20-11-10-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,17,18,19)
InChIKeyHAFVAUQAUNYOGG-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.30
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide

N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide (PubChem CID 25342928) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide
PubChem CID25342928
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide
SMILESCc1cccc(NC(=O)CSCCc2ccccc2)n1
InChIInChI=1S/C16H18N2OS/c1-13-6-5-9-15(17-13)18-16(19)12-20-11-10-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,17,18,19)
InChIKeyHAFVAUQAUNYOGG-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide (CID 25342928) is N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide is Cc1cccc(NC(=O)CSCCc2ccccc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide?
The InChIKey is HAFVAUQAUNYOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-13-6-5-9-15(17-13)18-16(19)12-20-11-10-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,17,18,19).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide?
N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 25342928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).