[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

C24H25NO5S — CID 55371141

IUPAC[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)OCC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C24H25NO5S/c26-23(25-11-3-6-19(25)22-8-4-12-31-22)14-29-24(27)15-28-16-9-10-21-18(13-16)17-5-1-2-7-20(17)30-21/h4,8-10,12-13,19H,1-3,5-7,11,14-15H2
InChIKeyKXJXOEIJXNIISP-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.66
Rot. Bonds6

About [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (PubChem CID 55371141) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
PubChem CID55371141
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Name[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)OCC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C24H25NO5S/c26-23(25-11-3-6-19(25)22-8-4-12-31-22)14-29-24(27)15-28-16-9-10-21-18(13-16)17-5-1-2-7-20(17)30-21/h4,8-10,12-13,19H,1-3,5-7,11,14-15H2
InChIKeyKXJXOEIJXNIISP-UHFFFAOYSA-N
XLogP4.66
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 16549718
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(2-chlorophenoxy)acetate
CID 55371401
[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate
CID 31939256
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 31155237
4-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzonitrile
CID 17435386
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3,5-dimethoxy-4-methylbenzoate
CID 55371431
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 4-(methoxymethyl)benzoate
CID 47007738
3-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propoxy]benzamide
CID 96569474
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3,5-bis(trifluoromethyl)benzoate
CID 55371170
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
2-(2-aminophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 61027407

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (CID 55371141) is [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is O=C(COc1ccc2oc3c(c2c1)CCCC3)OCC(=O)N1CCCC1c1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The InChIKey is KXJXOEIJXNIISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c26-23(25-11-3-6-19(25)22-8-4-12-31-22)14-29-24(27)15-28-16-9-10-21-18(13-16)17-5-1-2-7-20(17)30-21/h4,8-10,12-13,19H,1-3,5-7,11,14-15H2.
What are the key properties of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate has a molecular weight of 439.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is sourced from PubChem (CID 55371141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).