2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide

C15H22N2O5S — CID 6491400

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O5S/c1-2-7-16-15(18)12-22-13-3-5-14(6-4-13)23(19,20)17-8-10-21-11-9-17/h3-6H,2,7-12H2,1H3,(H,16,18)
InChIKeyABCXNNYYJBZESL-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.61
Rot. Bonds7

About 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide

2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide (PubChem CID 6491400) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
PubChem CID6491400
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O5S/c1-2-7-16-15(18)12-22-13-3-5-14(6-4-13)23(19,20)17-8-10-21-11-9-17/h3-6H,2,7-12H2,1H3,(H,16,18)
InChIKeyABCXNNYYJBZESL-UHFFFAOYSA-N
XLogP0.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491401
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 9331335
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
2-[4-(diethylsulfamoyl)phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 28562560
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28562495
N-[(2-chlorophenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27137564
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N-[(2-methoxyphenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6492353

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide (CID 6491400) is 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide?
The InChIKey is ABCXNNYYJBZESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-2-7-16-15(18)12-22-13-3-5-14(6-4-13)23(19,20)17-8-10-21-11-9-17/h3-6H,2,7-12H2,1H3,(H,16,18).
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide?
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide has a molecular weight of 342.42 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide is sourced from PubChem (CID 6491400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).