3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one

C21H21NO2S — CID 41103665

IUPAC3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C21H21NO2S/c23-21(22-14-4-8-18(22)20-9-5-15-25-20)13-11-17-10-12-19(24-17)16-6-2-1-3-7-16/h1-3,5-7,9-10,12,15,18H,4,8,11,13-14H2/t18-/m1/s1
InChIKeyXCXXYGFGLHFPKO-GOSISDBHSA-N
MW351.47 g/mol
LogP5.30
Rot. Bonds5

About 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one

3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 41103665) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID41103665
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C21H21NO2S/c23-21(22-14-4-8-18(22)20-9-5-15-25-20)13-11-17-10-12-19(24-17)16-6-2-1-3-7-16/h1-3,5-7,9-10,12,15,18H,4,8,11,13-14H2/t18-/m1/s1
InChIKeyXCXXYGFGLHFPKO-GOSISDBHSA-N
XLogP5.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 51270059
2-(2-phenylphenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 84870635
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933
1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
CID 94799365
3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 22587446
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 41144976
2-(2-phenoxyethylsulfanyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 86978365
2-methyl-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpropanoic acid
CID 64914478
2-(2-aminophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 61027407
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one (CID 41103665) is 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one is O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is XCXXYGFGLHFPKO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21NO2S/c23-21(22-14-4-8-18(22)20-9-5-15-25-20)13-11-17-10-12-19(24-17)16-6-2-1-3-7-16/h1-3,5-7,9-10,12,15,18H,4,8,11,13-14H2/t18-/m1/s1.
What are the key properties of 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 351.47 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 41103665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).