1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C25H26N4O3S — CID 50843175

About 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 50843175) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 50843175
• Molecular Formula: C25H26N4O3S
• Molecular Weight: 462.58 g/mol
• Exact Mass: 462.17
• IUPAC Name: 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
• SMILES: Cc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)o1
• InChI: InChI=1S/C25H26N4O3S/c1-17-7-8-20(32-17)15-26-23(30)19-9-12-28(13-10-19)25-27-21-11-14-33-22(21)24(31)29(25)16-18-5-3-2-4-6-18/h2-8,11,14,19H,9-10,12-13,15-16H2,1H3,(H,26,30)
• InChIKey: YADSSSWSQPCWQB-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.58
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 50843175) is 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)o1.

What is the InChIKey of 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?

The InChIKey is YADSSSWSQPCWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-17-7-8-20(32-17)15-26-23(30)19-9-12-28(13-10-19)25-27-21-11-14-33-22(21)24(31)29(25)16-18-5-3-2-4-6-18/h2-8,11,14,19H,9-10,12-13,15-16H2,1H3,(H,26,30).

What are the key properties of 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?

1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50843175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).