[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate

C16H22N2O7S — CID 16518493

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H22N2O7S/c1-10-7-18(8-11(2)25-10)15(19)9-24-16(20)13-6-12(26(17,21)22)4-5-14(13)23-3/h4-6,10-11H,7-9H2,1-3H3,(H2,17,21,22)
InChIKeyYIMBDMOOFXUUHR-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.14
Rot. Bonds5

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate (PubChem CID 16518493) has the molecular formula C16H22N2O7S and a molecular weight of 386.43 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
PubChem CID16518493
Molecular FormulaC16H22N2O7S
Molecular Weight386.43 g/mol
Exact Mass386.11
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H22N2O7S/c1-10-7-18(8-11(2)25-10)15(19)9-24-16(20)13-6-12(26(17,21)22)4-5-14(13)23-3/h4-6,10-11H,7-9H2,1-3H3,(H2,17,21,22)
InChIKeyYIMBDMOOFXUUHR-UHFFFAOYSA-N
XLogP0.14
TPSA125.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate (CID 16518493) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate is COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is YIMBDMOOFXUUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7S/c1-10-7-18(8-11(2)25-10)15(19)9-24-16(20)13-6-12(26(17,21)22)4-5-14(13)23-3/h4-6,10-11H,7-9H2,1-3H3,(H2,17,21,22).
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate has a molecular weight of 386.43 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 16518493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).