2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide

C16H18N2OS — CID 134007796

IUPAC2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(SCC(=O)NC(C)c2ccccc2)nc1
InChIInChI=1S/C16H18N2OS/c1-12-8-9-16(17-10-12)20-11-15(19)18-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyDZCQCFNLBHJHTK-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.36
Rot. Bonds5

About 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide

2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 134007796) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID134007796
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(SCC(=O)NC(C)c2ccccc2)nc1
InChIInChI=1S/C16H18N2OS/c1-12-8-9-16(17-10-12)20-11-15(19)18-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyDZCQCFNLBHJHTK-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 95098183
2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 6915473
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 42663314
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7774852
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897230
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 110693895

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide (CID 134007796) is 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide is Cc1ccc(SCC(=O)NC(C)c2ccccc2)nc1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is DZCQCFNLBHJHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12-8-9-16(17-10-12)20-11-15(19)18-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide?
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 134007796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).