[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate

C19H20BrNO4S — CID 55371486

IUPAC[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate
SMILESCC(Oc1ccc(Br)cc1)C(=O)OCC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C19H20BrNO4S/c1-13(25-15-8-6-14(20)7-9-15)19(23)24-12-18(22)21-10-2-4-16(21)17-5-3-11-26-17/h3,5-9,11,13,16H,2,4,10,12H2,1H3
InChIKeyURLNKLHVVUYHJQ-UHFFFAOYSA-N
MW438.34 g/mol
LogP4.18
Rot. Bonds6

About [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate

[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate (PubChem CID 55371486) has the molecular formula C19H20BrNO4S and a molecular weight of 438.34 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate
PubChem CID55371486
Molecular FormulaC19H20BrNO4S
Molecular Weight438.34 g/mol
Exact Mass437.03
IUPAC Name[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate
SMILESCC(Oc1ccc(Br)cc1)C(=O)OCC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C19H20BrNO4S/c1-13(25-15-8-6-14(20)7-9-15)19(23)24-12-18(22)21-10-2-4-16(21)17-5-3-11-26-17/h3,5-9,11,13,16H,2,4,10,12H2,1H3
InChIKeyURLNKLHVVUYHJQ-UHFFFAOYSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(3-chlorophenoxy)propanoate
CID 55371148
4-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]oxybenzonitrile
CID 51152868
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 55371296
[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate
CID 31939256
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
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-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
4-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzonitrile
CID 17435386
5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 55822134
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 4-(methoxymethyl)benzoate
CID 47007738
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate (CID 55371486) is [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate is CC(Oc1ccc(Br)cc1)C(=O)OCC(=O)N1CCCC1c1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate?
The InChIKey is URLNKLHVVUYHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO4S/c1-13(25-15-8-6-14(20)7-9-15)19(23)24-12-18(22)21-10-2-4-16(21)17-5-3-11-26-17/h3,5-9,11,13,16H,2,4,10,12H2,1H3.
What are the key properties of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate?
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate has a molecular weight of 438.34 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate is sourced from PubChem (CID 55371486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).