[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate

C22H26N2O8S — CID 2999240

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)N3CC(C)OC(C)C3)c2)cc1
InChIInChI=1S/C22H26N2O8S/c1-14-11-24(12-15(2)32-14)21(26)13-31-22(27)19-10-18(8-9-20(19)25)33(28,29)23-16-4-6-17(30-3)7-5-16/h4-10,14-15,23,25H,11-13H2,1-3H3
InChIKeyJXFSZASGFDIXQT-UHFFFAOYSA-N
MW478.52 g/mol
LogP1.99
Rot. Bonds7

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 2999240) has the molecular formula C22H26N2O8S and a molecular weight of 478.52 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID2999240
Molecular FormulaC22H26N2O8S
Molecular Weight478.52 g/mol
Exact Mass478.14
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)N3CC(C)OC(C)C3)c2)cc1
InChIInChI=1S/C22H26N2O8S/c1-14-11-24(12-15(2)32-14)21(26)13-31-22(27)19-10-18(8-9-20(19)25)33(28,29)23-16-4-6-17(30-3)7-5-16/h4-10,14-15,23,25H,11-13H2,1-3H3
InChIKeyJXFSZASGFDIXQT-UHFFFAOYSA-N
XLogP1.99
TPSA131.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate (CID 2999240) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)N3CC(C)OC(C)C3)c2)cc1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is JXFSZASGFDIXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O8S/c1-14-11-24(12-15(2)32-14)21(26)13-31-22(27)19-10-18(8-9-20(19)25)33(28,29)23-16-4-6-17(30-3)7-5-16/h4-10,14-15,23,25H,11-13H2,1-3H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 478.52 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2999240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).