N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide

C20H30N2O6S — CID 55840923

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C20H30N2O6S/c1-15(23)4-5-18-6-8-19(9-7-18)27-14-20(24)21-10-11-29(25,26)22-12-16(2)28-17(3)13-22/h6-9,16-17H,4-5,10-14H2,1-3H3,(H,21,24)
InChIKeyGFLVFJRWQSXYGQ-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.14
Rot. Bonds10

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 55840923) has the molecular formula C20H30N2O6S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID55840923
Molecular FormulaC20H30N2O6S
Molecular Weight426.54 g/mol
Exact Mass426.18
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C20H30N2O6S/c1-15(23)4-5-18-6-8-19(9-7-18)27-14-20(24)21-10-11-29(25,26)22-12-16(2)28-17(3)13-22/h6-9,16-17H,4-5,10-14H2,1-3H3,(H,21,24)
InChIKeyGFLVFJRWQSXYGQ-UHFFFAOYSA-N
XLogP1.14
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
CID 55658110
N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide
CID 110345502
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51947693
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110346040
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 47029158
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
CID 55658112
tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate
CID 52502622
tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate
CID 47082029
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 55840923) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide is CC(=O)CCc1ccc(OCC(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is GFLVFJRWQSXYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6S/c1-15(23)4-5-18-6-8-19(9-7-18)27-14-20(24)21-10-11-29(25,26)22-12-16(2)28-17(3)13-22/h6-9,16-17H,4-5,10-14H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 426.54 g/mol, XLogP of 1.14, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 55840923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).