[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

C22H26ClN3O6S — CID 42984800

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H26ClN3O6S/c1-25(2)33(29,30)18-7-8-20(26-9-11-31-12-10-26)19(13-18)22(28)32-15-21(27)24-14-16-3-5-17(23)6-4-16/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyZSIHFVLYHJLKAG-UHFFFAOYSA-N
MW495.99 g/mol
LogP1.90
Rot. Bonds8

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (PubChem CID 42984800) has the molecular formula C22H26ClN3O6S and a molecular weight of 495.99 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
PubChem CID42984800
Molecular FormulaC22H26ClN3O6S
Molecular Weight495.99 g/mol
Exact Mass495.12
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H26ClN3O6S/c1-25(2)33(29,30)18-7-8-20(26-9-11-31-12-10-26)19(13-18)22(28)32-15-21(27)24-14-16-3-5-17(23)6-4-16/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyZSIHFVLYHJLKAG-UHFFFAOYSA-N
XLogP1.90
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate with MolForge

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Related Compounds

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883894
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 43027310
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542086
5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55669624
(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 22109188
5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55638218
[2-(3-methoxyphenyl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42985820
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 4590722
(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976407
3-phenoxypropyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 55568899
2-oxopropyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 29200680

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (CID 42984800) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The InChIKey is ZSIHFVLYHJLKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O6S/c1-25(2)33(29,30)18-7-8-20(26-9-11-31-12-10-26)19(13-18)22(28)32-15-21(27)24-14-16-3-5-17(23)6-4-16/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate has a molecular weight of 495.99 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 42984800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).