[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate

C24H30N2O6S — CID 16535088

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CC(C)OC(C)C2)ccc1C
InChIInChI=1S/C24H30N2O6S/c1-5-26(21-9-7-6-8-10-21)33(29,30)22-13-20(12-11-17(22)2)24(28)31-16-23(27)25-14-18(3)32-19(4)15-25/h6-13,18-19H,5,14-16H2,1-4H3
InChIKeyVEMTVINWEPMLSE-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.00
Rot. Bonds7

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate (PubChem CID 16535088) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
PubChem CID16535088
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CC(C)OC(C)C2)ccc1C
InChIInChI=1S/C24H30N2O6S/c1-5-26(21-9-7-6-8-10-21)33(29,30)22-13-20(12-11-17(22)2)24(28)31-16-23(27)25-14-18(3)32-19(4)15-25/h6-13,18-19H,5,14-16H2,1-4H3
InChIKeyVEMTVINWEPMLSE-UHFFFAOYSA-N
XLogP3.00
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530659
[2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2715153
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609248
[2-(2-methoxyphenyl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 16535076
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580378
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-bromobenzoate
CID 23854351
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346476
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 18073914
(2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2385677
(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588211
[(1S)-1-cyanoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609331
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate (CID 16535088) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CC(C)OC(C)C2)ccc1C.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
The InChIKey is VEMTVINWEPMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-5-26(21-9-7-6-8-10-21)33(29,30)22-13-20(12-11-17(22)2)24(28)31-16-23(27)25-14-18(3)32-19(4)15-25/h6-13,18-19H,5,14-16H2,1-4H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate has a molecular weight of 474.58 g/mol, XLogP of 3.00, 7 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] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 16535088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).