N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide

C18H28N2OS — CID 77094145

IUPACN-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1ccc(SCCN(C)C(=O)CC2CCCCN2C)cc1
InChIInChI=1S/C18H28N2OS/c1-15-7-9-17(10-8-15)22-13-12-20(3)18(21)14-16-6-4-5-11-19(16)2/h7-10,16H,4-6,11-14H2,1-3H3
InChIKeyCHOKWUPOWDEXAM-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.42
Rot. Bonds6

About N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide

N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide (PubChem CID 77094145) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide
PubChem CID77094145
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC NameN-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1ccc(SCCN(C)C(=O)CC2CCCCN2C)cc1
InChIInChI=1S/C18H28N2OS/c1-15-7-9-17(10-8-15)22-13-12-20(3)18(21)14-16-6-4-5-11-19(16)2/h7-10,16H,4-6,11-14H2,1-3H3
InChIKeyCHOKWUPOWDEXAM-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide (CID 77094145) is N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide is Cc1ccc(SCCN(C)C(=O)CC2CCCCN2C)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide?
The InChIKey is CHOKWUPOWDEXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-15-7-9-17(10-8-15)22-13-12-20(3)18(21)14-16-6-4-5-11-19(16)2/h7-10,16H,4-6,11-14H2,1-3H3.
What are the key properties of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide?
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide has a molecular weight of 320.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide is sourced from PubChem (CID 77094145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).