(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate

C19H20N2O5S — CID 2372648

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCC(=O)N1CCCC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H20N2O5S/c22-18(21-12-4-5-13-21)14-26-19(23)15-8-10-17(11-9-15)27(24,25)20-16-6-2-1-3-7-16/h1-3,6-11,20H,4-5,12-14H2
InChIKeyZIKLREQMIOIDLJ-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.27
Rot. Bonds6

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate (PubChem CID 2372648) has the molecular formula C19H20N2O5S and a molecular weight of 388.44 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate
PubChem CID2372648
Molecular FormulaC19H20N2O5S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCC(=O)N1CCCC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H20N2O5S/c22-18(21-12-4-5-13-21)14-26-19(23)15-8-10-17(11-9-15)27(24,25)20-16-6-2-1-3-7-16/h1-3,6-11,20H,4-5,12-14H2
InChIKeyZIKLREQMIOIDLJ-UHFFFAOYSA-N
XLogP2.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azocan-1-yl)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 35236311
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-(azocan-1-yl)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 8568392
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(azepan-1-ylsulfonyl)benzoate
CID 2557964
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
(2-oxo-2-piperidin-1-ylethyl) 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623659
(2-oxo-2-piperidin-1-ylethyl) 4-(2-cyanoethylsulfamoyl)benzoate
CID 7578759
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247767
(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588211
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate
CID 41070240
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2553372
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate (CID 2372648) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate is O=C(OCC(=O)N1CCCC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate?
The InChIKey is ZIKLREQMIOIDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-18(21-12-4-5-13-21)14-26-19(23)15-8-10-17(11-9-15)27(24,25)20-16-6-2-1-3-7-16/h1-3,6-11,20H,4-5,12-14H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate has a molecular weight of 388.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 2372648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).