N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C24H21N3O5S — CID 23409077

About N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23409077) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 23409077
• Molecular Formula: C24H21N3O5S
• Molecular Weight: 463.52 g/mol
• Exact Mass: 463.12
• IUPAC Name: N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: COc1cccc(C(=O)Cn2cnc3sc(C(=O)Nc4ccccc4OC)c(C)c3c2=O)c1
• InChI: InChI=1S/C24H21N3O5S/c1-14-20-23(33-21(14)22(29)26-17-9-4-5-10-19(17)32-3)25-13-27(24(20)30)12-18(28)15-7-6-8-16(11-15)31-2/h4-11,13H,12H2,1-3H3,(H,26,29)
• InChIKey: WGODMUFWGZJJEL-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 99.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.52
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 23409077) is N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(C(=O)Cn2cnc3sc(C(=O)Nc4ccccc4OC)c(C)c3c2=O)c1.

What is the InChIKey of N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is WGODMUFWGZJJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-14-20-23(33-21(14)22(29)26-17-9-4-5-10-19(17)32-3)25-13-27(24(20)30)12-18(28)15-7-6-8-16(11-15)31-2/h4-11,13H,12H2,1-3H3,(H,26,29).

What are the key properties of N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?

N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23409077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).