3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide

C15H22N2O2S — CID 45222547

IUPAC3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
SMILESCCC1(CCC(=O)NC(C)c2cccs2)CCC(=O)N1
InChIInChI=1S/C15H22N2O2S/c1-3-15(9-7-14(19)17-15)8-6-13(18)16-11(2)12-5-4-10-20-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFPBYVPXQLHPOAA-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.76
Rot. Bonds6

About 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide

3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 45222547) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID45222547
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
SMILESCCC1(CCC(=O)NC(C)c2cccs2)CCC(=O)N1
InChIInChI=1S/C15H22N2O2S/c1-3-15(9-7-14(19)17-15)8-6-13(18)16-11(2)12-5-4-10-20-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFPBYVPXQLHPOAA-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide (CID 45222547) is 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide is CCC1(CCC(=O)NC(C)c2cccs2)CCC(=O)N1.
What is the InChIKey of 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is FPBYVPXQLHPOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-15(9-7-14(19)17-15)8-6-13(18)16-11(2)12-5-4-10-20-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide?
3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 294.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 45222547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).