N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide

C20H22N2O4S — CID 75526156

IUPACN-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H22N2O4S/c1-27(25,26)18-9-5-8-17(14-18)21-19(23)20(24)22-12-10-16(11-13-22)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,21,23)
InChIKeyXXFIITALLVNNED-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.43
Rot. Bonds3

About N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide

N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 75526156) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID75526156
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H22N2O4S/c1-27(25,26)18-9-5-8-17(14-18)21-19(23)20(24)22-12-10-16(11-13-22)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,21,23)
InChIKeyXXFIITALLVNNED-UHFFFAOYSA-N
XLogP2.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide (CID 75526156) is N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide is CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is XXFIITALLVNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-27(25,26)18-9-5-8-17(14-18)21-19(23)20(24)22-12-10-16(11-13-22)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,21,23).
What are the key properties of N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide?
N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 386.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 75526156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).