N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide

C27H23N3O3S — CID 55452709

About N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide

N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide (PubChem CID 55452709) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
• PubChem CID: 55452709
• Molecular Formula: C27H23N3O3S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.15
• IUPAC Name: N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
• SMILES: Cc1ccc(-c2csc3ncn(CCC(=O)NC(c4ccccc4)c4ccco4)c(=O)c23)cc1
• InChI: InChI=1S/C27H23N3O3S/c1-18-9-11-19(12-10-18)21-16-34-26-24(21)27(32)30(17-28-26)14-13-23(31)29-25(22-8-5-15-33-22)20-6-3-2-4-7-20/h2-12,15-17,25H,13-14H2,1H3,(H,29,31)
• InChIKey: PAQGFERBLOCMJK-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?

The IUPAC name of N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide (CID 55452709) is N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide.

What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?

The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide is Cc1ccc(-c2csc3ncn(CCC(=O)NC(c4ccccc4)c4ccco4)c(=O)c23)cc1.

What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?

The InChIKey is PAQGFERBLOCMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3S/c1-18-9-11-19(12-10-18)21-16-34-26-24(21)27(32)30(17-28-26)14-13-23(31)29-25(22-8-5-15-33-22)20-6-3-2-4-7-20/h2-12,15-17,25H,13-14H2,1H3,(H,29,31).

What are the key properties of N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide?

N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide has a molecular weight of 469.57 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 55452709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).