[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate

C25H33N3O7S — CID 24820046

IUPAC[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)COc1ccccc1C
InChIInChI=1S/C25H33N3O7S/c1-4-27(5-2)22-11-10-20(36(31,32)28-12-14-33-15-13-28)16-21(22)26-24(29)17-35-25(30)18-34-23-9-7-6-8-19(23)3/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,26,29)
InChIKeyAYECCUBBQCWSDW-UHFFFAOYSA-N
MW519.62 g/mol
LogP2.42
Rot. Bonds11

About [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 24820046) has the molecular formula C25H33N3O7S and a molecular weight of 519.62 g/mol. Its IUPAC name is [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID24820046
Molecular FormulaC25H33N3O7S
Molecular Weight519.62 g/mol
Exact Mass519.20
IUPAC Name[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)COc1ccccc1C
InChIInChI=1S/C25H33N3O7S/c1-4-27(5-2)22-11-10-20(36(31,32)28-12-14-33-15-13-28)16-21(22)26-24(29)17-35-25(30)18-34-23-9-7-6-8-19(23)3/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,26,29)
InChIKeyAYECCUBBQCWSDW-UHFFFAOYSA-N
XLogP2.42
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 30587513
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(4-methylphenoxy)acetamide
CID 30587504
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 25162358
2-(3-chloro-4-fluorophenoxy)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 30784633
2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55312863
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16534709
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
2-(benzotriazol-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55370605
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667277

Frequently Asked Questions

What is the IUPAC name of [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 24820046) is [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)COc1ccccc1C.
What is the InChIKey of [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is AYECCUBBQCWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O7S/c1-4-27(5-2)22-11-10-20(36(31,32)28-12-14-33-15-13-28)16-21(22)26-24(29)17-35-25(30)18-34-23-9-7-6-8-19(23)3/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,26,29).
What are the key properties of [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 519.62 g/mol, XLogP of 2.42, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 24820046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).