[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

C24H30N2O6S — CID 41114639

IUPAC[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C24H30N2O6S/c1-15-10-11-16(2)22(12-15)33(29,30)25-21-9-7-6-8-20(21)24(28)32-19(5)23(27)26-13-17(3)31-18(4)14-26/h6-12,17-19,25H,13-14H2,1-5H3/t17-,18+,19-/m1/s1
InChIKeyKCJUFIUJXOOSCA-CEXWTWQISA-N
MW474.58 g/mol
LogP3.29
Rot. Bonds6

About [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate (PubChem CID 41114639) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate
PubChem CID41114639
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Name[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C24H30N2O6S/c1-15-10-11-16(2)22(12-15)33(29,30)25-21-9-7-6-8-20(21)24(28)32-19(5)23(27)26-13-17(3)31-18(4)14-26/h6-12,17-19,25H,13-14H2,1-5H3/t17-,18+,19-/m1/s1
InChIKeyKCJUFIUJXOOSCA-CEXWTWQISA-N
XLogP3.29
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate 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

2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
[(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoate
CID 98938303
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoate
CID 98393834
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529275
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 55316125
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate
CID 55322802
[2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 16528542
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119484827
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 55319792
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 55316324
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 7744895

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
The IUPAC name of [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate (CID 41114639) is [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
The canonical SMILES for [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
The InChIKey is KCJUFIUJXOOSCA-CEXWTWQISA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-15-10-11-16(2)22(12-15)33(29,30)25-21-9-7-6-8-20(21)24(28)32-19(5)23(27)26-13-17(3)31-18(4)14-26/h6-12,17-19,25H,13-14H2,1-5H3/t17-,18+,19-/m1/s1.
What are the key properties of [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate has a molecular weight of 474.58 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 41114639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).