[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C24H28N2O8S — CID 16534709

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1
InChIInChI=1S/C24H28N2O8S/c1-3-22(27)18-5-7-19(8-6-18)33-16-24(29)34-15-23(28)25-21-14-20(9-4-17(21)2)35(30,31)26-10-12-32-13-11-26/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,25,28)
InChIKeyKEBPXARRKTWISM-UHFFFAOYSA-N
MW504.56 g/mol
LogP2.17
Rot. Bonds10

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 16534709) has the molecular formula C24H28N2O8S and a molecular weight of 504.56 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID16534709
Molecular FormulaC24H28N2O8S
Molecular Weight504.56 g/mol
Exact Mass504.16
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1
InChIInChI=1S/C24H28N2O8S/c1-3-22(27)18-5-7-19(8-6-18)33-16-24(29)34-15-23(28)25-21-14-20(9-4-17(21)2)35(30,31)26-10-12-32-13-11-26/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,25,28)
InChIKeyKEBPXARRKTWISM-UHFFFAOYSA-N
XLogP2.17
TPSA128.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 25162358
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 4002541
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722474
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760061
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 4664802
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504639
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
CID 5223315
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24981479
2-(4-ethoxyphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546031
[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 24820046

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 16534709) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is KEBPXARRKTWISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O8S/c1-3-22(27)18-5-7-19(8-6-18)33-16-24(29)34-15-23(28)25-21-14-20(9-4-17(21)2)35(30,31)26-10-12-32-13-11-26/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,25,28).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 504.56 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 16534709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).