(2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate

C24H30N2O5S — CID 41070240

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C24H30N2O5S/c1-24(2,3)20-10-12-21(13-11-20)32(29,30)25-16-18-6-8-19(9-7-18)23(28)31-17-22(27)26-14-4-5-15-26/h6-13,25H,4-5,14-17H2,1-3H3
InChIKeyUUHFVGZPSXCGHS-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.24
Rot. Bonds7

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate (PubChem CID 41070240) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate
PubChem CID41070240
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C24H30N2O5S/c1-24(2,3)20-10-12-21(13-11-20)32(29,30)25-16-18-6-8-19(9-7-18)23(28)31-17-22(27)26-14-4-5-15-26/h6-13,25H,4-5,14-17H2,1-3H3
InChIKeyUUHFVGZPSXCGHS-UHFFFAOYSA-N
XLogP3.24
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate with MolForge

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Related Compounds

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55854236
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
[2-(azocan-1-yl)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 8568392
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate
CID 16511656
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide
CID 17439202
(2-oxo-2-piperidin-1-ylethyl) 4-(2-cyanoethylsulfamoyl)benzoate
CID 7578759
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate
CID 2372648
4-tert-butyl-N-[[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 42452992
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7734839
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(azepan-1-ylsulfonyl)benzoate
CID 2557964
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(methylsulfanylmethyl)benzoate
CID 84603123

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate (CID 41070240) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate is CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)OCC(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate?
The InChIKey is UUHFVGZPSXCGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-24(2,3)20-10-12-21(13-11-20)32(29,30)25-16-18-6-8-19(9-7-18)23(28)31-17-22(27)26-14-4-5-15-26/h6-13,25H,4-5,14-17H2,1-3H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate has a molecular weight of 458.58 g/mol, XLogP of 3.24, 7 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-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate is sourced from PubChem (CID 41070240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).