4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C15H22N2O4S — CID 645933

IUPAC4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-6-4-12(5-7-14)15(18)16-13-8-10-17(11-9-13)22(2,19)20/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyOXDBWPJPMNEXRQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.24
Rot. Bonds5

About 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide

4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 645933) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID645933
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-6-4-12(5-7-14)15(18)16-13-8-10-17(11-9-13)22(2,19)20/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyOXDBWPJPMNEXRQ-UHFFFAOYSA-N
XLogP1.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 645933) is 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is OXDBWPJPMNEXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-14-6-4-12(5-7-14)15(18)16-13-8-10-17(11-9-13)22(2,19)20/h4-7,13H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 645933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).