2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C17H23ClN2O6S — CID 30146041

IUPAC2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NC[C@@H]1CCCO1
InChIInChI=1S/C17H23ClN2O6S/c18-13-3-4-15(26-12-17(21)19-11-14-2-1-7-25-14)16(10-13)27(22,23)20-5-8-24-9-6-20/h3-4,10,14H,1-2,5-9,11-12H2,(H,19,21)/t14-/m0/s1
InChIKeyZAYFIEJKTUDYOI-AWEZNQCLSA-N
MW418.90 g/mol
LogP1.03
Rot. Bonds7

About 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 30146041) has the molecular formula C17H23ClN2O6S and a molecular weight of 418.90 g/mol. Its IUPAC name is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID30146041
Molecular FormulaC17H23ClN2O6S
Molecular Weight418.90 g/mol
Exact Mass418.10
IUPAC Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NC[C@@H]1CCCO1
InChIInChI=1S/C17H23ClN2O6S/c18-13-3-4-15(26-12-17(21)19-11-14-2-1-7-25-14)16(10-13)27(22,23)20-5-8-24-9-6-20/h3-4,10,14H,1-2,5-9,11-12H2,(H,19,21)/t14-/m0/s1
InChIKeyZAYFIEJKTUDYOI-AWEZNQCLSA-N
XLogP1.03
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7425655
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4790141
3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 34551600
N-(4-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147193
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30146034
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 7918875
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
CID 27242841
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30147474
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 30146041) is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is ZAYFIEJKTUDYOI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23ClN2O6S/c18-13-3-4-15(26-12-17(21)19-11-14-2-1-7-25-14)16(10-13)27(22,23)20-5-8-24-9-6-20/h3-4,10,14H,1-2,5-9,11-12H2,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 418.90 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 30146041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).