2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C23H23N3O3S — CID 24654737

About 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24654737) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 24654737
• Molecular Formula: C23H23N3O3S
• Molecular Weight: 421.52 g/mol
• Exact Mass: 421.15
• IUPAC Name: 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1c(C(=O)NC(C)CCc2ccco2)sc2nc(Cc3ccccc3)[nH]c(=O)c12
• InChI: InChI=1S/C23H23N3O3S/c1-14(10-11-17-9-6-12-29-17)24-22(28)20-15(2)19-21(27)25-18(26-23(19)30-20)13-16-7-4-3-5-8-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,28)(H,25,26,27)
• InChIKey: ZBHUCIWAKRUIOS-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 87.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.52
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 24654737) is 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC(C)CCc2ccco2)sc2nc(Cc3ccccc3)[nH]c(=O)c12.

What is the InChIKey of 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is ZBHUCIWAKRUIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-14(10-11-17-9-6-12-29-17)24-22(28)20-15(2)19-21(27)25-18(26-23(19)30-20)13-16-7-4-3-5-8-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,28)(H,25,26,27).

What are the key properties of 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?

2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24654737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).