2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide

C20H22N2O4S — CID 47909409

IUPAC2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2ccccc2C(=O)c2ccccc2)C1
InChIInChI=1S/C20H22N2O4S/c1-27(25,26)22-13-7-10-16(14-22)21-20(24)18-12-6-5-11-17(18)19(23)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,21,24)
InChIKeyVKWJGMJTNXLEDK-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.07
Rot. Bonds5

About 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide

2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide (PubChem CID 47909409) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
PubChem CID47909409
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2ccccc2C(=O)c2ccccc2)C1
InChIInChI=1S/C20H22N2O4S/c1-27(25,26)22-13-7-10-16(14-22)21-20(24)18-12-6-5-11-17(18)19(23)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,21,24)
InChIKeyVKWJGMJTNXLEDK-UHFFFAOYSA-N
XLogP2.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The IUPAC name of 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide (CID 47909409) is 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide is CS(=O)(=O)N1CCCC(NC(=O)c2ccccc2C(=O)c2ccccc2)C1.
What is the InChIKey of 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The InChIKey is VKWJGMJTNXLEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-27(25,26)22-13-7-10-16(14-22)21-20(24)18-12-6-5-11-17(18)19(23)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,21,24).
What are the key properties of 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide has a molecular weight of 386.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide is sourced from PubChem (CID 47909409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).