2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide

C17H21N3O5S — CID 16826834

IUPAC2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2CC(=O)Nc2ccon2)cc1
InChIInChI=1S/C17H21N3O5S/c1-24-14-5-7-15(8-6-14)26(22,23)20-10-3-2-4-13(20)12-17(21)18-16-9-11-25-19-16/h5-9,11,13H,2-4,10,12H2,1H3,(H,18,19,21)
InChIKeyCNIGRXZJHIBZIH-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.26
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide

2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 16826834) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID16826834
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2CC(=O)Nc2ccon2)cc1
InChIInChI=1S/C17H21N3O5S/c1-24-14-5-7-15(8-6-14)26(22,23)20-10-3-2-4-13(20)12-17(21)18-16-9-11-25-19-16/h5-9,11,13H,2-4,10,12H2,1H3,(H,18,19,21)
InChIKeyCNIGRXZJHIBZIH-UHFFFAOYSA-N
XLogP2.26
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide (CID 16826834) is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide is COc1ccc(S(=O)(=O)N2CCCCC2CC(=O)Nc2ccon2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is CNIGRXZJHIBZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-14-5-7-15(8-6-14)26(22,23)20-10-3-2-4-13(20)12-17(21)18-16-9-11-25-19-16/h5-9,11,13H,2-4,10,12H2,1H3,(H,18,19,21).
What are the key properties of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide?
2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16826834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).