N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide

C33H32N4O7S — CID 43819875

About N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide

N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide (PubChem CID 43819875) has the molecular formula C33H32N4O7S and a molecular weight of 628.71 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide
• PubChem CID: 43819875
• Molecular Formula: C33H32N4O7S
• Molecular Weight: 628.71 g/mol
• Exact Mass: 628.20
• IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide
• SMILES: COc1ccc(-c2csc(CN(C(=O)CN3C(=O)C(=O)c4ccccc43)C(C)(C)C(=O)Nc3ccc(OC)cc3OC)n2)cc1
• InChI: InChI=1S/C33H32N4O7S/c1-33(2,32(41)35-24-15-14-22(43-4)16-27(24)44-5)37(17-28-34-25(19-45-28)20-10-12-21(42-3)13-11-20)29(38)18-36-26-9-7-6-8-23(26)30(39)31(36)40/h6-16,19H,17-18H2,1-5H3,(H,35,41)
• InChIKey: JFVBZPGZELBUSN-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 127.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.71
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide?

The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide (CID 43819875) is N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide.

What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide?

The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide is COc1ccc(-c2csc(CN(C(=O)CN3C(=O)C(=O)c4ccccc43)C(C)(C)C(=O)Nc3ccc(OC)cc3OC)n2)cc1.

What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide?

The InChIKey is JFVBZPGZELBUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O7S/c1-33(2,32(41)35-24-15-14-22(43-4)16-27(24)44-5)37(17-28-34-25(19-45-28)20-10-12-21(42-3)13-11-20)29(38)18-36-26-9-7-6-8-23(26)30(39)31(36)40/h6-16,19H,17-18H2,1-5H3,(H,35,41).

What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide?

N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide has a molecular weight of 628.71 g/mol, XLogP of 4.81, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide is sourced from PubChem (CID 43819875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).