N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide

C15H22N2O5S — CID 110345502

IUPACN-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)COc2ccccc2)CCO1
InChIInChI=1S/C15H22N2O5S/c1-13-11-17(8-9-21-13)23(19,20)10-7-16-15(18)12-22-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeyIKNIBMFTTIJSEF-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.23
Rot. Bonds7

About N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide

N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide (PubChem CID 110345502) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide
PubChem CID110345502
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)COc2ccccc2)CCO1
InChIInChI=1S/C15H22N2O5S/c1-13-11-17(8-9-21-13)23(19,20)10-7-16-15(18)12-22-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeyIKNIBMFTTIJSEF-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 55840923
3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345478
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 7188773
N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110346040
2-phenoxy-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 27557858
N-[2-(methylsulfamoyl)ethyl]-2-phenoxyacetamide
CID 110292880
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 16826988
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51941786
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide (CID 110345502) is N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide is CC1CN(S(=O)(=O)CCNC(=O)COc2ccccc2)CCO1.
What is the InChIKey of N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide?
The InChIKey is IKNIBMFTTIJSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-13-11-17(8-9-21-13)23(19,20)10-7-16-15(18)12-22-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18).
What are the key properties of N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide?
N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide has a molecular weight of 342.42 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide is sourced from PubChem (CID 110345502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).