N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide

C16H24N2OS — CID 114626374

IUPACN-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSC1CCNCC1
InChIInChI=1S/C16H24N2OS/c1-3-13-6-4-5-12(2)16(13)18-15(19)11-20-14-7-9-17-10-8-14/h4-6,14,17H,3,7-11H2,1-2H3,(H,18,19)
InChIKeyBYKSPEOFQSYPML-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.98
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide

N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626374) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626374
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSC1CCNCC1
InChIInChI=1S/C16H24N2OS/c1-3-13-6-4-5-12(2)16(13)18-15(19)11-20-14-7-9-17-10-8-14/h4-6,14,17H,3,7-11H2,1-2H3,(H,18,19)
InChIKeyBYKSPEOFQSYPML-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
CID 78305593
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114628039
cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
CID 8875644
N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626715
N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299311
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28631186
N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide
CID 114626484

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide (CID 114626374) is N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide is CCc1cccc(C)c1NC(=O)CSC1CCNCC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is BYKSPEOFQSYPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-13-6-4-5-12(2)16(13)18-15(19)11-20-14-7-9-17-10-8-14/h4-6,14,17H,3,7-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide?
N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 292.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).