2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide

C25H20N4O2S2 — CID 71601108

IUPAC2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C25H20N4O2S2/c30-22(27-19-10-8-17(9-11-19)18-5-4-13-26-15-18)16-33-25-28-21-12-14-32-23(21)24(31)29(25)20-6-2-1-3-7-20/h1-11,13,15H,12,14,16H2,(H,27,30)
InChIKeyCWOIYHINCMBSPZ-UHFFFAOYSA-N
MW472.60 g/mol
LogP4.67
Rot. Bonds6

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

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide (PubChem CID 71601108) has the molecular formula C25H20N4O2S2 and a molecular weight of 472.60 g/mol. Its IUPAC name is 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide
PubChem CID71601108
Molecular FormulaC25H20N4O2S2
Molecular Weight472.60 g/mol
Exact Mass472.10
IUPAC Name2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C25H20N4O2S2/c30-22(27-19-10-8-17(9-11-19)18-5-4-13-26-15-18)16-33-25-28-21-12-14-32-23(21)24(31)29(25)20-6-2-1-3-7-20/h1-11,13,15H,12,14,16H2,(H,27,30)
InChIKeyCWOIYHINCMBSPZ-UHFFFAOYSA-N
XLogP4.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide?
The IUPAC name of 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide (CID 71601108) is 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide is O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide?
The InChIKey is CWOIYHINCMBSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S2/c30-22(27-19-10-8-17(9-11-19)18-5-4-13-26-15-18)16-33-25-28-21-12-14-32-23(21)24(31)29(25)20-6-2-1-3-7-20/h1-11,13,15H,12,14,16H2,(H,27,30).
What are the key properties of 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide?
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide has a molecular weight of 472.60 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 71601108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).