(2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate

C21H24N2O5S — CID 2512136

IUPAC(2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O5S/c1-16-5-9-18(10-6-16)22-29(26,27)19-11-7-17(8-12-19)21(25)28-15-20(24)23-13-3-2-4-14-23/h5-12,22H,2-4,13-15H2,1H3
InChIKeyYNAUDKQPXMBAEL-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.97
Rot. Bonds6

About (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate

(2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 2512136) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID2512136
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O5S/c1-16-5-9-18(10-6-16)22-29(26,27)19-11-7-17(8-12-19)21(25)28-15-20(24)23-13-3-2-4-14-23/h5-12,22H,2-4,13-15H2,1H3
InChIKeyYNAUDKQPXMBAEL-UHFFFAOYSA-N
XLogP2.97
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2363961
3-[4-(4-Methyl-piperazine-1-sulfonyl)-benzoylamino]-benzoic acid methyl ester
CID 655078
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate
CID 2102825
[2-Oxo-2-(propylcarbamoylamino)ethyl] 3-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2114994
[2-(Benzylamino)-2-oxoethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2118587
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
CID 2119081
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2129018
2-{[4-(Aminosulfonyl)phenyl]amino}-2-oxoethyl 2-(propionylamino)benzoate
CID 2190341
[2-(2,6-Difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 2338052
[2-(Benzylamino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2346668
[2-(Benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate (CID 2512136) is (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is YNAUDKQPXMBAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-16-5-9-18(10-6-16)22-29(26,27)19-11-7-17(8-12-19)21(25)28-15-20(24)23-13-3-2-4-14-23/h5-12,22H,2-4,13-15H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate?
(2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 416.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2512136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).