2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide

C17H25ClN2O5S — CID 4553739

IUPAC2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C17H25ClN2O5S/c1-12(2)13(3)19-17(21)11-25-16-5-4-14(10-15(16)18)26(22,23)20-6-8-24-9-7-20/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyADRJEFWJWGCEBF-UHFFFAOYSA-N
MW404.92 g/mol
LogP1.90
Rot. Bonds7

About 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 4553739) has the molecular formula C17H25ClN2O5S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide
PubChem CID4553739
Molecular FormulaC17H25ClN2O5S
Molecular Weight404.92 g/mol
Exact Mass404.12
IUPAC Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C17H25ClN2O5S/c1-12(2)13(3)19-17(21)11-25-16-5-4-14(10-15(16)18)26(22,23)20-6-8-24-9-7-20/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyADRJEFWJWGCEBF-UHFFFAOYSA-N
XLogP1.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide (CID 4553739) is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ADRJEFWJWGCEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O5S/c1-12(2)13(3)19-17(21)11-25-16-5-4-14(10-15(16)18)26(22,23)20-6-8-24-9-7-20/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 404.92 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 4553739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).