oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate

C21H32N2O6S — CID 55358452

IUPACoxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC2CCCCO2)c1
InChIInChI=1S/C21H32N2O6S/c1-3-23(4-2)30(25,26)18-8-9-20(22-10-13-27-14-11-22)19(15-18)21(24)29-16-17-7-5-6-12-28-17/h8-9,15,17H,3-7,10-14,16H2,1-2H3
InChIKeyLNVRRRFCKDFVSZ-UHFFFAOYSA-N
MW440.56 g/mol
LogP2.28
Rot. Bonds8

About oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate

oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate (PubChem CID 55358452) has the molecular formula C21H32N2O6S and a molecular weight of 440.56 g/mol. Its IUPAC name is oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate
PubChem CID55358452
Molecular FormulaC21H32N2O6S
Molecular Weight440.56 g/mol
Exact Mass440.20
IUPAC Nameoxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC2CCCCO2)c1
InChIInChI=1S/C21H32N2O6S/c1-3-23(4-2)30(25,26)18-8-9-20(22-10-13-27-14-11-22)19(15-18)21(24)29-16-17-7-5-6-12-28-17/h8-9,15,17H,3-7,10-14,16H2,1-2H3
InChIKeyLNVRRRFCKDFVSZ-UHFFFAOYSA-N
XLogP2.28
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 30929978
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 16543719
(4-carbamoylphenyl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 27352639
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 55549228
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
3-phenoxypropyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 55568899
[2-(4-chlorophenyl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 16543701
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 42970985
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883894
5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
CID 55591057
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 25357041

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The IUPAC name of oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate (CID 55358452) is oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate.
What is the SMILES notation for oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The canonical SMILES for oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC2CCCCO2)c1.
What is the InChIKey of oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The InChIKey is LNVRRRFCKDFVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O6S/c1-3-23(4-2)30(25,26)18-8-9-20(22-10-13-27-14-11-22)19(15-18)21(24)29-16-17-7-5-6-12-28-17/h8-9,15,17H,3-7,10-14,16H2,1-2H3.
What are the key properties of oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate?
oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate has a molecular weight of 440.56 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 55358452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).