N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

C21H15ClFN3O3S — CID 45499723

About N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 45499723) has the molecular formula C21H15ClFN3O3S and a molecular weight of 443.89 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
• PubChem CID: 45499723
• Molecular Formula: C21H15ClFN3O3S
• Molecular Weight: 443.89 g/mol
• Exact Mass: 443.05
• IUPAC Name: N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
• SMILES: COc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(F)cc4Cl)cnc23)cc1
• InChI: InChI=1S/C21H15ClFN3O3S/c1-29-14-5-2-12(3-6-14)15-10-30-20-19(15)24-11-26(21(20)28)9-18(27)25-17-7-4-13(23)8-16(17)22/h2-8,10-11H,9H2,1H3,(H,25,27)
• InChIKey: WNUWZHSDESRBPG-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.89
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?

The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (CID 45499723) is N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.

What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?

The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is COc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(F)cc4Cl)cnc23)cc1.

What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?

The InChIKey is WNUWZHSDESRBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O3S/c1-29-14-5-2-12(3-6-14)15-10-30-20-19(15)24-11-26(21(20)28)9-18(27)25-17-7-4-13(23)8-16(17)22/h2-8,10-11H,9H2,1H3,(H,25,27).

What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?

N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 443.89 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 45499723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).