ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate

C20H24N2O3S — CID 47014049

IUPACethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCCC1c1cccs1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-2-25-20(24)15-22(16-8-4-3-5-9-16)19(23)14-21-12-6-10-17(21)18-11-7-13-26-18/h3-5,7-9,11,13,17H,2,6,10,12,14-15H2,1H3
InChIKeyYRLKCOKQSYUDIS-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.48
Rot. Bonds7

About ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate

ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate (PubChem CID 47014049) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate
PubChem CID47014049
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Nameethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCCC1c1cccs1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-2-25-20(24)15-22(16-8-4-3-5-9-16)19(23)14-21-12-6-10-17(21)18-11-7-13-26-18/h3-5,7-9,11,13,17H,2,6,10,12,14-15H2,1H3
InChIKeyYRLKCOKQSYUDIS-UHFFFAOYSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
CID 47019495
ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
CID 41376222
ethyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]acetate
CID 86854600
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
ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
CID 55445563
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124776383
ethyl 5-acetyl-4-methyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 9445883
N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446407

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate (CID 47014049) is ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate is CCOC(=O)CN(C(=O)CN1CCCC1c1cccs1)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate?
The InChIKey is YRLKCOKQSYUDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-25-20(24)15-22(16-8-4-3-5-9-16)19(23)14-21-12-6-10-17(21)18-11-7-13-26-18/h3-5,7-9,11,13,17H,2,6,10,12,14-15H2,1H3.
What are the key properties of ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate?
ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate has a molecular weight of 372.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate is sourced from PubChem (CID 47014049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).