(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

C17H24N2O7S — CID 22109188

IUPAC(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCOC(=O)C(C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1
InChIInChI=1S/C17H24N2O7S/c1-12(16(20)24-4)26-17(21)14-11-13(27(22,23)18(2)3)5-6-15(14)19-7-9-25-10-8-19/h5-6,11-12H,7-10H2,1-4H3
InChIKeyCSJAURDKCYTILQ-UHFFFAOYSA-N
MW400.45 g/mol
LogP0.49
Rot. Bonds6

About (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (PubChem CID 22109188) has the molecular formula C17H24N2O7S and a molecular weight of 400.45 g/mol. Its IUPAC name is (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
PubChem CID22109188
Molecular FormulaC17H24N2O7S
Molecular Weight400.45 g/mol
Exact Mass400.13
IUPAC Name(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCOC(=O)C(C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1
InChIInChI=1S/C17H24N2O7S/c1-12(16(20)24-4)26-17(21)14-11-13(27(22,23)18(2)3)5-6-15(14)19-7-9-25-10-8-19/h5-6,11-12H,7-10H2,1-4H3
InChIKeyCSJAURDKCYTILQ-UHFFFAOYSA-N
XLogP0.49
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate with MolForge

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

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 22109208
[(1S)-1-phenylethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883877
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 25357041
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883894
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 2639860
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 25343767
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 30080896
3-phenoxypropyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 55568899
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 40796867
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 40796868
[2-(3-methoxyphenyl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42985820

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The IUPAC name of (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (CID 22109188) is (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.
What is the SMILES notation for (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The canonical SMILES for (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is COC(=O)C(C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1.
What is the InChIKey of (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The InChIKey is CSJAURDKCYTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O7S/c1-12(16(20)24-4)26-17(21)14-11-13(27(22,23)18(2)3)5-6-15(14)19-7-9-25-10-8-19/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate has a molecular weight of 400.45 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 22109188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).