N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C26H28N4O3S — CID 46517958

About N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46517958) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 46517958
• Molecular Formula: C26H28N4O3S
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.19
• IUPAC Name: N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1nc(C(C)(C)C)nc2sc(C(=O)N(CC(=O)Nc3ccccc3)Cc3ccco3)c(C)c12
• InChI: InChI=1S/C26H28N4O3S/c1-16-21-17(2)27-25(26(3,4)5)29-23(21)34-22(16)24(32)30(14-19-12-9-13-33-19)15-20(31)28-18-10-7-6-8-11-18/h6-13H,14-15H2,1-5H3,(H,28,31)
• InChIKey: FNPZIAZKKYASGQ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 46517958) is N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C(C)(C)C)nc2sc(C(=O)N(CC(=O)Nc3ccccc3)Cc3ccco3)c(C)c12.

What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is FNPZIAZKKYASGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-16-21-17(2)27-25(26(3,4)5)29-23(21)34-22(16)24(32)30(14-19-12-9-13-33-19)15-20(31)28-18-10-7-6-8-11-18/h6-13H,14-15H2,1-5H3,(H,28,31).

What are the key properties of N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46517958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).