(2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate

C20H22N2O6S — CID 2092477

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O6S/c1-21(17-5-3-2-4-6-17)29(25,26)18-9-7-16(8-10-18)20(24)28-15-19(23)22-11-13-27-14-12-22/h2-10H,11-15H2,1H3
InChIKeyWKOHZUMPLHBNQN-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.53
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate

(2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2092477) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2092477
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O6S/c1-21(17-5-3-2-4-6-17)29(25,26)18-9-7-16(8-10-18)20(24)28-15-19(23)22-11-13-27-14-12-22/h2-10H,11-15H2,1H3
InChIKeyWKOHZUMPLHBNQN-UHFFFAOYSA-N
XLogP1.53
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate (CID 2092477) is (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is WKOHZUMPLHBNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-21(17-5-3-2-4-6-17)29(25,26)18-9-7-16(8-10-18)20(24)28-15-19(23)22-11-13-27-14-12-22/h2-10H,11-15H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate?
(2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 418.47 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2092477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).