N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

C25H23N3O4S — CID 95181558

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 95181558) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
• PubChem CID: 95181558
• Molecular Formula: C25H23N3O4S
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.14
• IUPAC Name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
• SMILES: COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O
• InChI: InChI=1S/C25H23N3O4S/c1-32-21-9-5-3-7-17(21)14-28-24(30)23-20(12-13-33-23)27(25(28)31)15-22(29)26-19-11-10-16-6-2-4-8-18(16)19/h2-9,12-13,19H,10-11,14-15H2,1H3,(H,26,29)/t19-/m1/s1
• InChIKey: RBBJXSYXRBYGCR-LJQANCHMSA-N
• XLogP: 3.09
• TPSA: 82.33 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	461.54
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?

The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (CID 95181558) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.

What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?

The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O.

What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?

The InChIKey is RBBJXSYXRBYGCR-LJQANCHMSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-32-21-9-5-3-7-17(21)14-28-24(30)23-20(12-13-33-23)27(25(28)31)15-22(29)26-19-11-10-16-6-2-4-8-18(16)19/h2-9,12-13,19H,10-11,14-15H2,1H3,(H,26,29)/t19-/m1/s1.

What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 461.54 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 95181558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).