2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

C19H23N3O4S — CID 2231055

IUPAC2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccn1
InChIInChI=1S/C19H23N3O4S/c23-19(21-14-16-6-2-3-11-20-16)15-26-17-7-9-18(10-8-17)27(24,25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-15H2,(H,21,23)
InChIKeyQEABLSWFTFQMML-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.95
Rot. Bonds7

About 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 2231055) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID2231055
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccn1
InChIInChI=1S/C19H23N3O4S/c23-19(21-14-16-6-2-3-11-20-16)15-26-17-7-9-18(10-8-17)27(24,25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-15H2,(H,21,23)
InChIKeyQEABLSWFTFQMML-UHFFFAOYSA-N
XLogP1.95
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 2231055) is 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccn1.
What is the InChIKey of 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is QEABLSWFTFQMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-19(21-14-16-6-2-3-11-20-16)15-26-17-7-9-18(10-8-17)27(24,25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-15H2,(H,21,23).
What are the key properties of 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 2231055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).