2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

C22H21NO2S — CID 84870635

IUPAC2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccccc1-c1ccccc1)N1CCCC1c1cccs1
InChIInChI=1S/C22H21NO2S/c24-22(23-14-6-11-19(23)21-13-7-15-26-21)16-25-20-12-5-4-10-18(20)17-8-2-1-3-9-17/h1-5,7-10,12-13,15,19H,6,11,14,16H2
InChIKeyILAIEHMKNJCWSE-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.16
Rot. Bonds5

About 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 84870635) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
PubChem CID84870635
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccccc1-c1ccccc1)N1CCCC1c1cccs1
InChIInChI=1S/C22H21NO2S/c24-22(23-14-6-11-19(23)21-13-7-15-26-21)16-25-20-12-5-4-10-18(20)17-8-2-1-3-9-17/h1-5,7-10,12-13,15,19H,6,11,14,16H2
InChIKeyILAIEHMKNJCWSE-UHFFFAOYSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone 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

2-(2-aminophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 61027407
2-(2-iodophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 43075476
6-chloro-7-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]-4-phenylchromen-2-one
CID 43034128
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(2-chlorophenoxy)acetate
CID 55371401
4-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzonitrile
CID 17435386
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 119631354
4-(2-bromophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 55738710
3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 41103665
methyl 3-bromo-4-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzoate
CID 46548091
1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenylphenoxy)ethanone
CID 42905440
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (CID 84870635) is 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is O=C(COc1ccccc1-c1ccccc1)N1CCCC1c1cccs1.
What is the InChIKey of 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is ILAIEHMKNJCWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c24-22(23-14-6-11-19(23)21-13-7-15-26-21)16-25-20-12-5-4-10-18(20)17-8-2-1-3-9-17/h1-5,7-10,12-13,15,19H,6,11,14,16H2.
What are the key properties of 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 363.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 84870635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).