[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

C19H28N2O5S — CID 24794326

IUPAC[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1C
InChIInChI=1S/C19H28N2O5S/c1-3-26-18-7-6-17(13-15(18)2)27(23,24)21-8-4-5-16(14-21)19(22)20-9-11-25-12-10-20/h6-7,13,16H,3-5,8-12,14H2,1-2H3
InChIKeyANSWCJCOUKGXFN-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.65
Rot. Bonds5

About [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 24794326) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID24794326
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1C
InChIInChI=1S/C19H28N2O5S/c1-3-26-18-7-6-17(13-15(18)2)27(23,24)21-8-4-5-16(14-21)19(22)20-9-11-25-12-10-20/h6-7,13,16H,3-5,8-12,14H2,1-2H3
InChIKeyANSWCJCOUKGXFN-UHFFFAOYSA-N
XLogP1.65
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 24794326) is [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is CCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1C.
What is the InChIKey of [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ANSWCJCOUKGXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-3-26-18-7-6-17(13-15(18)2)27(23,24)21-8-4-5-16(14-21)19(22)20-9-11-25-12-10-20/h6-7,13,16H,3-5,8-12,14H2,1-2H3.
What are the key properties of [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 396.51 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24794326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).