[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

C17H24N2O6S — CID 4677989

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCC1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC(C)O1
InChIInChI=1S/C17H24N2O6S/c1-12-9-19(10-13(2)25-12)16(20)11-24-17(21)14-5-7-15(8-6-14)26(22,23)18(3)4/h5-8,12-13H,9-11H2,1-4H3
InChIKeyXUIHSCGYRQEWKG-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.73
Rot. Bonds5

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 4677989) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID4677989
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCC1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC(C)O1
InChIInChI=1S/C17H24N2O6S/c1-12-9-19(10-13(2)25-12)16(20)11-24-17(21)14-5-7-15(8-6-14)26(22,23)18(3)4/h5-8,12-13H,9-11H2,1-4H3
InChIKeyXUIHSCGYRQEWKG-UHFFFAOYSA-N
XLogP0.73
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (CID 4677989) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is CC1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is XUIHSCGYRQEWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-12-9-19(10-13(2)25-12)16(20)11-24-17(21)14-5-7-15(8-6-14)26(22,23)18(3)4/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 384.45 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 4677989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).