N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide

C20H24N2OS — CID 78810005

IUPACN-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCN1CCC(NC(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2OS/c1-22-14-12-17(13-15-22)21-20(23)19(16-8-4-2-5-9-16)24-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3,(H,21,23)
InChIKeyWRQOBSFGIBDCKK-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.73
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide

N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 78810005) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID78810005
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCN1CCC(NC(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2OS/c1-22-14-12-17(13-15-22)21-20(23)19(16-8-4-2-5-9-16)24-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3,(H,21,23)
InChIKeyWRQOBSFGIBDCKK-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 78810005) is N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide is CN1CCC(NC(=O)C(Sc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is WRQOBSFGIBDCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-22-14-12-17(13-15-22)21-20(23)19(16-8-4-2-5-9-16)24-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3,(H,21,23).
What are the key properties of N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide?
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 340.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 78810005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).