N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide

C24H23ClN4O2S — CID 67360653

About N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide

N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide (PubChem CID 67360653) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide.

Molecular Properties

• Compound Name: N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide
• PubChem CID: 67360653
• Molecular Formula: C24H23ClN4O2S
• Molecular Weight: 466.99 g/mol
• Exact Mass: 466.12
• IUPAC Name: N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide
• SMILES: CNCC(=O)NCc1ccc(CCn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1
• InChI: InChI=1S/C24H23ClN4O2S/c1-26-14-22(30)27-13-17-4-2-16(3-5-17)10-11-29-15-28-20-12-21(32-23(20)24(29)31)18-6-8-19(25)9-7-18/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,27,30)
• InChIKey: XDZWQLOQKFQOGN-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.99
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide?

The IUPAC name of N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide (CID 67360653) is N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide.

What is the SMILES notation for N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide?

The canonical SMILES for N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1ccc(CCn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1.

What is the InChIKey of N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide?

The InChIKey is XDZWQLOQKFQOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-26-14-22(30)27-13-17-4-2-16(3-5-17)10-11-29-15-28-20-12-21(32-23(20)24(29)31)18-6-8-19(25)9-7-18/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,27,30).

What are the key properties of N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide?

N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide has a molecular weight of 466.99 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 67360653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).