2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

C24H23N3O2S3 — CID 2564522

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1CCc1ccccc1)N1CCCC1
InChIInChI=1S/C24H23N3O2S3/c28-20(26-11-4-5-12-26)16-32-24-25-22-21(18(15-31-22)19-9-6-14-30-19)23(29)27(24)13-10-17-7-2-1-3-8-17/h1-3,6-9,14-15H,4-5,10-13,16H2
InChIKeyUGBBRYSEBNJMAH-UHFFFAOYSA-N
MW481.67 g/mol
LogP5.14
Rot. Bonds7

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 2564522) has the molecular formula C24H23N3O2S3 and a molecular weight of 481.67 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID2564522
Molecular FormulaC24H23N3O2S3
Molecular Weight481.67 g/mol
Exact Mass481.10
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1CCc1ccccc1)N1CCCC1
InChIInChI=1S/C24H23N3O2S3/c28-20(26-11-4-5-12-26)16-32-24-25-22-21(18(15-31-22)19-9-6-14-30-19)23(29)27(24)13-10-17-7-2-1-3-8-17/h1-3,6-9,14-15H,4-5,10-13,16H2
InChIKeyUGBBRYSEBNJMAH-UHFFFAOYSA-N
XLogP5.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.67
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (CID 2564522) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1CCc1ccccc1)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is UGBBRYSEBNJMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S3/c28-20(26-11-4-5-12-26)16-32-24-25-22-21(18(15-31-22)19-9-6-14-30-19)23(29)27(24)13-10-17-7-2-1-3-8-17/h1-3,6-9,14-15H,4-5,10-13,16H2.
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 481.67 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-(2-phenylethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2564522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).