2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid

C19H21NO5S — CID 119180840

IUPAC2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCCC2c2ccsc2)ccc1OCC(=O)O
InChIInChI=1S/C19H21NO5S/c1-2-24-17-10-13(5-6-16(17)25-11-18(21)22)19(23)20-8-3-4-15(20)14-7-9-26-12-14/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,21,22)
InChIKeyGMSUYHHKBACVIQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.59
Rot. Bonds7

About 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid

2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid (PubChem CID 119180840) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid
PubChem CID119180840
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCCC2c2ccsc2)ccc1OCC(=O)O
InChIInChI=1S/C19H21NO5S/c1-2-24-17-10-13(5-6-16(17)25-11-18(21)22)19(23)20-8-3-4-15(20)14-7-9-26-12-14/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,21,22)
InChIKeyGMSUYHHKBACVIQ-UHFFFAOYSA-N
XLogP3.59
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152460
2-[2-ethoxy-4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182696
2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152075
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 120550261
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 39688623
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948024

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid (CID 119180840) is 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid is CCOc1cc(C(=O)N2CCCC2c2ccsc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid?
The InChIKey is GMSUYHHKBACVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-2-24-17-10-13(5-6-16(17)25-11-18(21)22)19(23)20-8-3-4-15(20)14-7-9-26-12-14/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,21,22).
What are the key properties of 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid?
2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid has a molecular weight of 375.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 119180840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).