2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone

C19H21NO4S — CID 51210306

IUPAC2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCS(=O)(=O)c1ccc(OC(C(=O)N2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4S/c1-25(22,23)17-11-9-16(10-12-17)24-18(15-7-3-2-4-8-15)19(21)20-13-5-6-14-20/h2-4,7-12,18H,5-6,13-14H2,1H3
InChIKeyNFHIPTBGGSVQSU-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.83
Rot. Bonds5

About 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone

2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 51210306) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID51210306
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCS(=O)(=O)c1ccc(OC(C(=O)N2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4S/c1-25(22,23)17-11-9-16(10-12-17)24-18(15-7-3-2-4-8-15)19(21)20-13-5-6-14-20/h2-4,7-12,18H,5-6,13-14H2,1H3
InChIKeyNFHIPTBGGSVQSU-UHFFFAOYSA-N
XLogP2.83
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
CID 7697193
2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone
CID 138992541
4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 71901975
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7697246
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
CID 7715462
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054
2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy]benzamide
CID 8001851
4-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethoxy]benzamide
CID 8639436
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone (CID 51210306) is 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone is CS(=O)(=O)c1ccc(OC(C(=O)N2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is NFHIPTBGGSVQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-25(22,23)17-11-9-16(10-12-17)24-18(15-7-3-2-4-8-15)19(21)20-13-5-6-14-20/h2-4,7-12,18H,5-6,13-14H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone?
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 359.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 51210306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).