(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate

C22H26N2O5S — CID 42922412

IUPAC(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate
SMILESCS(=O)(=O)NCCc1ccc(C(=O)OC(C(=O)N2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O5S/c1-30(27,28)23-14-13-17-9-11-19(12-10-17)22(26)29-20(18-7-3-2-4-8-18)21(25)24-15-5-6-16-24/h2-4,7-12,20,23H,5-6,13-16H2,1H3
InChIKeyMLOBEWPXCGCHLR-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.30
Rot. Bonds8

About (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate (PubChem CID 42922412) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate
PubChem CID42922412
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate
SMILESCS(=O)(=O)NCCc1ccc(C(=O)OC(C(=O)N2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O5S/c1-30(27,28)23-14-13-17-9-11-19(12-10-17)22(26)29-20(18-7-3-2-4-8-18)21(25)24-15-5-6-16-24/h2-4,7-12,20,23H,5-6,13-16H2,1H3
InChIKeyMLOBEWPXCGCHLR-UHFFFAOYSA-N
XLogP2.30
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate
CID 27614893
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
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[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
[(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
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7735914
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 27734150
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dimethylbenzoate
CID 7699703
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-fluoro-4-methoxybenzoate
CID 7736918

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate?
The IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate (CID 42922412) is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate.
What is the SMILES notation for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate?
The canonical SMILES for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate is CS(=O)(=O)NCCc1ccc(C(=O)OC(C(=O)N2CCCC2)c2ccccc2)cc1.
What is the InChIKey of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate?
The InChIKey is MLOBEWPXCGCHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-30(27,28)23-14-13-17-9-11-19(12-10-17)22(26)29-20(18-7-3-2-4-8-18)21(25)24-15-5-6-16-24/h2-4,7-12,20,23H,5-6,13-16H2,1H3.
What are the key properties of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate?
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate has a molecular weight of 430.53 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 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-[2-(methanesulfonamido)ethyl]benzoate is sourced from PubChem (CID 42922412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).