(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate

C23H26N2O5S — CID 55390054

IUPAC(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(OC(C(=O)N1CCCC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N2O5S/c26-22(24-14-4-5-15-24)21(18-8-2-1-3-9-18)30-23(27)19-10-12-20(13-11-19)31(28,29)25-16-6-7-17-25/h1-3,8-13,21H,4-7,14-17H2
InChIKeyQFFRHUVEWMTSRI-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.99
Rot. Bonds6

About (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 55390054) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID55390054
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(OC(C(=O)N1CCCC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N2O5S/c26-22(24-14-4-5-15-24)21(18-8-2-1-3-9-18)30-23(27)19-10-12-20(13-11-19)31(28,29)25-16-6-7-17-25/h1-3,8-13,21H,4-7,14-17H2
InChIKeyQFFRHUVEWMTSRI-UHFFFAOYSA-N
XLogP2.99
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 46824288
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2675002
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2675000
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 8705295
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 42938513
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate
CID 42922412
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2497329
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7735914
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
CID 18199550
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate (CID 55390054) is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate is O=C(OC(C(=O)N1CCCC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is QFFRHUVEWMTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c26-22(24-14-4-5-15-24)21(18-8-2-1-3-9-18)30-23(27)19-10-12-20(13-11-19)31(28,29)25-16-6-7-17-25/h1-3,8-13,21H,4-7,14-17H2.
What are the key properties of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate?
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 442.54 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 55390054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).