[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate

C23H28N2O6S — CID 27734150

IUPAC[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
SMILESCOc1ccc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C23H28N2O6S/c1-16(2)24-32(28,29)20-15-18(11-12-19(20)30-3)23(27)31-21(17-9-5-4-6-10-17)22(26)25-13-7-8-14-25/h4-6,9-12,15-16,21,24H,7-8,13-14H2,1-3H3/t21-/m1/s1
InChIKeyWFEKJHXFJRFONZ-OAQYLSRUSA-N
MW460.55 g/mol
LogP2.90
Rot. Bonds8

About [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate (PubChem CID 27734150) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
PubChem CID27734150
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
SMILESCOc1ccc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C23H28N2O6S/c1-16(2)24-32(28,29)20-15-18(11-12-19(20)30-3)23(27)31-21(17-9-5-4-6-10-17)22(26)25-13-7-8-14-25/h4-6,9-12,15-16,21,24H,7-8,13-14H2,1-3H3/t21-/m1/s1
InChIKeyWFEKJHXFJRFONZ-OAQYLSRUSA-N
XLogP2.90
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate with MolForge

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Launch Full Analysis

Related Compounds

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-fluoro-4-methoxybenzoate
CID 7736918
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7704107
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43005274
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
CID 18198886
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874
2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054
2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347501
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 7736777
[1-oxo-1-(2-phenylanilino)propan-2-yl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 42986774

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate (CID 27734150) is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate is COc1ccc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
The InChIKey is WFEKJHXFJRFONZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-16(2)24-32(28,29)20-15-18(11-12-19(20)30-3)23(27)31-21(17-9-5-4-6-10-17)22(26)25-13-7-8-14-25/h4-6,9-12,15-16,21,24H,7-8,13-14H2,1-3H3/t21-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate has a molecular weight of 460.55 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 27734150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).