1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

C18H26N2O5S — CID 2320124

IUPAC1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCCC1
InChIInChI=1S/C18H26N2O5S/c21-18(19-9-3-1-2-4-10-19)15-25-16-5-7-17(8-6-16)26(22,23)20-11-13-24-14-12-20/h5-8H,1-4,9-15H2
InChIKeyGMZWOYJPEWPJLC-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.49
Rot. Bonds5

About 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (PubChem CID 2320124) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
PubChem CID2320124
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCCC1
InChIInChI=1S/C18H26N2O5S/c21-18(19-9-3-1-2-4-10-19)15-25-16-5-7-17(8-6-16)26(22,23)20-11-13-24-14-12-20/h5-8H,1-4,9-15H2
InChIKeyGMZWOYJPEWPJLC-UHFFFAOYSA-N
XLogP1.49
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (CID 2320124) is 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The InChIKey is GMZWOYJPEWPJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c21-18(19-9-3-1-2-4-10-19)15-25-16-5-7-17(8-6-16)26(22,23)20-11-13-24-14-12-20/h5-8H,1-4,9-15H2.
What are the key properties of 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone has a molecular weight of 382.48 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is sourced from PubChem (CID 2320124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).