2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide

C24H25N3O3S2 — CID 2155344

IUPAC2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C24H25N3O3S2/c1-2-30-19-10-8-18(9-11-19)27-23(29)22-20(13-15-31-22)26-24(27)32-16-21(28)25-14-12-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,28)
InChIKeyDODFVKRHZGSQBN-UHFFFAOYSA-N
MW467.62 g/mol
LogP3.73
Rot. Bonds9

About 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide

2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 2155344) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID2155344
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C24H25N3O3S2/c1-2-30-19-10-8-18(9-11-19)27-23(29)22-20(13-15-31-22)26-24(27)32-16-21(28)25-14-12-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,28)
InChIKeyDODFVKRHZGSQBN-UHFFFAOYSA-N
XLogP3.73
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (CID 2155344) is 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is CCOc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3c(c2=O)SCC3)cc1.
What is the InChIKey of 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is DODFVKRHZGSQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-2-30-19-10-8-18(9-11-19)27-23(29)22-20(13-15-31-22)26-24(27)32-16-21(28)25-14-12-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,28).
What are the key properties of 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 467.62 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2155344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).