[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate

C21H26N2O7S — CID 55467793

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC1CN(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC(C)O1
InChIInChI=1S/C21H26N2O7S/c1-14-12-23(13-15(2)29-14)20(24)16(3)30-21(25)17-6-4-8-19(10-17)31(26,27)22-11-18-7-5-9-28-18/h4-10,14-16,22H,11-13H2,1-3H3
InChIKeyMYZMDGZHNKPWSF-UHFFFAOYSA-N
MW450.51 g/mol
LogP1.94
Rot. Bonds7

About [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 55467793) has the molecular formula C21H26N2O7S and a molecular weight of 450.51 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID55467793
Molecular FormulaC21H26N2O7S
Molecular Weight450.51 g/mol
Exact Mass450.15
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC1CN(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC(C)O1
InChIInChI=1S/C21H26N2O7S/c1-14-12-23(13-15(2)29-14)20(24)16(3)30-21(25)17-6-4-8-19(10-17)31(26,27)22-11-18-7-5-9-28-18/h4-10,14-16,22H,11-13H2,1-3H3
InChIKeyMYZMDGZHNKPWSF-UHFFFAOYSA-N
XLogP1.94
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976489
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765852
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663364
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 46668074
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976486
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55475277
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4828945
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate (CID 55467793) is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate is CC1CN(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC(C)O1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is MYZMDGZHNKPWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S/c1-14-12-23(13-15(2)29-14)20(24)16(3)30-21(25)17-6-4-8-19(10-17)31(26,27)22-11-18-7-5-9-28-18/h4-10,14-16,22H,11-13H2,1-3H3.
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 450.51 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 55467793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).