3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide

C20H25N3O4S — CID 72863514

IUPAC3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C20H25N3O4S/c1-2-28(25,26)23-12-9-18(10-13-23)27-19-8-5-6-16(14-19)20(24)22-15-17-7-3-4-11-21-17/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,22,24)
InChIKeyQNXJHNKLHHSYSL-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.20
Rot. Bonds7

About 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide

3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 72863514) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID72863514
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C20H25N3O4S/c1-2-28(25,26)23-12-9-18(10-13-23)27-19-8-5-6-16(14-19)20(24)22-15-17-7-3-4-11-21-17/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,22,24)
InChIKeyQNXJHNKLHHSYSL-UHFFFAOYSA-N
XLogP2.20
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide (CID 72863514) is 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide is CCS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1.
What is the InChIKey of 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QNXJHNKLHHSYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-28(25,26)23-12-9-18(10-13-23)27-19-8-5-6-16(14-19)20(24)22-15-17-7-3-4-11-21-17/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,22,24).
What are the key properties of 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 72863514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).