2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

C20H24N2OS — CID 15945230

IUPAC2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H24N2OS/c1-16-9-7-8-14-22(16)15-20(23)21-18-12-5-6-13-19(18)24-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3,(H,21,23)
InChIKeyWTMAWVDVNDTYRK-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.65
Rot. Bonds5

About 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 15945230) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID15945230
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H24N2OS/c1-16-9-7-8-14-22(16)15-20(23)21-18-12-5-6-13-19(18)24-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3,(H,21,23)
InChIKeyWTMAWVDVNDTYRK-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (CID 15945230) is 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is CC1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is WTMAWVDVNDTYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-16-9-7-8-14-22(16)15-20(23)21-18-12-5-6-13-19(18)24-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3,(H,21,23).
What are the key properties of 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 340.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 15945230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).