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

C24H25N3O3S2 — CID 2155340

IUPAC2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(-n2c(SCC(=O)Nc3ccc(CC)cc3)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C24H25N3O3S2/c1-3-16-5-7-17(8-6-16)25-21(28)15-32-24-26-20-13-14-31-22(20)23(29)27(24)18-9-11-19(12-10-18)30-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,25,28)
InChIKeyWJZNVQVUHKAMEX-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.57
Rot. Bonds8

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

2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide (PubChem CID 2155340) 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-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
PubChem CID2155340
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-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(-n2c(SCC(=O)Nc3ccc(CC)cc3)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C24H25N3O3S2/c1-3-16-5-7-17(8-6-16)25-21(28)15-32-24-26-20-13-14-31-22(20)23(29)27(24)18-9-11-19(12-10-18)30-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,25,28)
InChIKeyWJZNVQVUHKAMEX-UHFFFAOYSA-N
XLogP4.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide (CID 2155340) is 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide is CCOc1ccc(-n2c(SCC(=O)Nc3ccc(CC)cc3)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-(4-ethylphenyl)acetamide?
The InChIKey is WJZNVQVUHKAMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-3-16-5-7-17(8-6-16)25-21(28)15-32-24-26-20-13-14-31-22(20)23(29)27(24)18-9-11-19(12-10-18)30-4-2/h5-12H,3-4,13-15H2,1-2H3,(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-(4-ethylphenyl)acetamide?
2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide has a molecular weight of 467.62 g/mol, XLogP of 4.57, 8 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 2155340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).