(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate

C21H24N2O5S — CID 16514848

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C21H24N2O5S/c1-22(17-10-4-2-5-11-17)29(26,27)19-13-7-6-12-18(19)21(25)28-16-20(24)23-14-8-3-9-15-23/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKeyOFWYRAOXFXFEKT-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.68
Rot. Bonds6

About (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate

(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 16514848) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID16514848
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C21H24N2O5S/c1-22(17-10-4-2-5-11-17)29(26,27)19-13-7-6-12-18(19)21(25)28-16-20(24)23-14-8-3-9-15-23/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKeyOFWYRAOXFXFEKT-UHFFFAOYSA-N
XLogP2.68
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-methylsulfonylbenzoate
CID 7725460
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577860
2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30548140
[2-(4-fluorophenyl)-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514831
(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588211
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 42464208
N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400127
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30472941
2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 119483296
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 18073914
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate (CID 16514848) is (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is OFWYRAOXFXFEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-22(17-10-4-2-5-11-17)29(26,27)19-13-7-6-12-18(19)21(25)28-16-20(24)23-14-8-3-9-15-23/h2,4-7,10-13H,3,8-9,14-16H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate?
(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 416.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 16514848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).