2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

C22H26N2O7S — CID 42983355

IUPAC2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCCOC(=O)c2ccccc2)c1
InChIInChI=1S/C22H26N2O7S/c1-23(2)32(27,28)18-8-9-20(24-10-12-29-13-11-24)19(16-18)22(26)31-15-14-30-21(25)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3
InChIKeyWKJACBYEVOZCNQ-UHFFFAOYSA-N
MW462.52 g/mol
LogP1.79
Rot. Bonds8

About 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (PubChem CID 42983355) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
PubChem CID42983355
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCCOC(=O)c2ccccc2)c1
InChIInChI=1S/C22H26N2O7S/c1-23(2)32(27,28)18-8-9-20(24-10-12-29-13-11-24)19(16-18)22(26)31-15-14-30-21(25)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3
InChIKeyWKJACBYEVOZCNQ-UHFFFAOYSA-N
XLogP1.79
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenoxypropyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 55568899
[2-(3-methoxyphenyl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42985820
[(1S)-1-phenylethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883877
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883894
(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 22109188
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42984800
[1-(3-chlorophenyl)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 22109208
2-oxopropyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 29200680
2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815086
[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 39964363
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 55358452

Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The IUPAC name of 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (CID 42983355) is 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.
What is the SMILES notation for 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The canonical SMILES for 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCCOC(=O)c2ccccc2)c1.
What is the InChIKey of 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The InChIKey is WKJACBYEVOZCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-23(2)32(27,28)18-8-9-20(24-10-12-29-13-11-24)19(16-18)22(26)31-15-14-30-21(25)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate has a molecular weight of 462.52 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 42983355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).