N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide

C24H22N4O3S — CID 24647786

About N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide

N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 24647786) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide
• PubChem CID: 24647786
• Molecular Formula: C24H22N4O3S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.14
• IUPAC Name: N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide
• SMILES: CC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1cnc2sccc2c1=O
• InChI: InChI=1S/C24H22N4O3S/c1-16(18-9-6-10-19(13-18)26-22(30)17-7-4-3-5-8-17)27(2)21(29)14-28-15-25-23-20(24(28)31)11-12-32-23/h3-13,15-16H,14H2,1-2H3,(H,26,30)
• InChIKey: SVNANJURPYZINK-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide?

The IUPAC name of N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide (CID 24647786) is N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide.

What is the SMILES notation for N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide?

The canonical SMILES for N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide is CC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1cnc2sccc2c1=O.

What is the InChIKey of N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide?

The InChIKey is SVNANJURPYZINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-16(18-9-6-10-19(13-18)26-22(30)17-7-4-3-5-8-17)27(2)21(29)14-28-15-25-23-20(24(28)31)11-12-32-23/h3-13,15-16H,14H2,1-2H3,(H,26,30).

What are the key properties of N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide?

N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide has a molecular weight of 446.53 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 24647786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).