2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide

C20H30N2O5S — CID 91906151

IUPAC2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C20H30N2O5S/c1-16-4-3-5-19(14-16)28(24,25)21-10-6-17(7-11-21)22(20(23)15-26-2)18-8-12-27-13-9-18/h3-5,14,17-18H,6-13,15H2,1-2H3
InChIKeyHOZXZNCXCAAXIW-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.80
Rot. Bonds6

About 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide

2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 91906151) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID91906151
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C20H30N2O5S/c1-16-4-3-5-19(14-16)28(24,25)21-10-6-17(7-11-21)22(20(23)15-26-2)18-8-12-27-13-9-18/h3-5,14,17-18H,6-13,15H2,1-2H3
InChIKeyHOZXZNCXCAAXIW-UHFFFAOYSA-N
XLogP1.80
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 91906151) is 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide is COCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C)c2)CC1.
What is the InChIKey of 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is HOZXZNCXCAAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-16-4-3-5-19(14-16)28(24,25)21-10-6-17(7-11-21)22(20(23)15-26-2)18-8-12-27-13-9-18/h3-5,14,17-18H,6-13,15H2,1-2H3.
What are the key properties of 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 410.54 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).