[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

C25H28N2O6S — CID 16525937

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)c[nH]c12
InChIInChI=1S/C25H28N2O6S/c1-4-18-7-6-10-21-22(12-26-24(18)21)23(28)15-32-25(29)19-8-5-9-20(11-19)34(30,31)27-13-16(2)33-17(3)14-27/h5-12,16-17,26H,4,13-15H2,1-3H3
InChIKeyWMGQTAIWGODVHY-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.57
Rot. Bonds7

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate (PubChem CID 16525937) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
PubChem CID16525937
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)c[nH]c12
InChIInChI=1S/C25H28N2O6S/c1-4-18-7-6-10-21-22(12-26-24(18)21)23(28)15-32-25(29)19-8-5-9-20(11-19)34(30,31)27-13-16(2)33-17(3)14-27/h5-12,16-17,26H,4,13-15H2,1-3H3
InChIKeyWMGQTAIWGODVHY-UHFFFAOYSA-N
XLogP3.57
TPSA105.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate with MolForge

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Related Compounds

[2-(2,5-dichlorophenyl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 23935542
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 41199330
propyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 46544170
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 7483516
[2-(diethylamino)-2-oxoethyl] 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661064
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521159
[2-(dimethylamino)-2-oxoethyl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661032
[2-(methylamino)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16525926
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42984343
(2-methylphenyl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16578208
(2-methylphenyl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661132
[2-(butylamino)-2-oxoethyl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661075

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate (CID 16525937) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate is CCc1cccc2c(C(=O)COC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
The InChIKey is WMGQTAIWGODVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-4-18-7-6-10-21-22(12-26-24(18)21)23(28)15-32-25(29)19-8-5-9-20(11-19)34(30,31)27-13-16(2)33-17(3)14-27/h5-12,16-17,26H,4,13-15H2,1-3H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate has a molecular weight of 484.57 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate is sourced from PubChem (CID 16525937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).