2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C18H28N2OS — CID 974703

IUPAC2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1ccc(SCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C18H28N2OS/c1-13-6-8-15(9-7-13)22-12-16(21)19-14-10-17(2,3)20-18(4,5)11-14/h6-9,14,20H,10-12H2,1-5H3,(H,19,21)
InChIKeyOHVJEMUIVAFBTE-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.51
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 974703) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID974703
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1ccc(SCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C18H28N2OS/c1-13-6-8-15(9-7-13)22-12-16(21)19-14-10-17(2,3)20-18(4,5)11-14/h6-9,14,20H,10-12H2,1-5H3,(H,19,21)
InChIKeyOHVJEMUIVAFBTE-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 974703) is 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is Cc1ccc(SCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is OHVJEMUIVAFBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-13-6-8-15(9-7-13)22-12-16(21)19-14-10-17(2,3)20-18(4,5)11-14/h6-9,14,20H,10-12H2,1-5H3,(H,19,21).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 320.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 974703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).