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

C38H33ClN4O8S — CID 43819869

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

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 43819869) has the molecular formula C38H33ClN4O8S and a molecular weight of 741.22 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
• PubChem CID: 43819869
• Molecular Formula: C38H33ClN4O8S
• Molecular Weight: 741.22 g/mol
• Exact Mass: 740.17
• IUPAC Name: 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)C(c2ccc(OC)c(OC)c2)N(Cc2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1
• InChI: InChI=1S/C38H33ClN4O8S/c1-48-25-14-15-27(31(18-25)50-3)41-37(46)35(23-11-16-30(49-2)32(17-23)51-4)43(19-33-40-28(21-52-33)22-9-12-24(39)13-10-22)34(44)20-42-29-8-6-5-7-26(29)36(45)38(42)47/h5-18,21,35H,19-20H2,1-4H3,(H,41,46)
• InChIKey: RQMHLJPUACSLLV-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 136.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.22
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 43819869) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide.

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

The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)C(c2ccc(OC)c(OC)c2)N(Cc2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1.

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

The InChIKey is RQMHLJPUACSLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33ClN4O8S/c1-48-25-14-15-27(31(18-25)50-3)41-37(46)35(23-11-16-30(49-2)32(17-23)51-4)43(19-33-40-28(21-52-33)22-9-12-24(39)13-10-22)34(44)20-42-29-8-6-5-7-26(29)36(45)38(42)47/h5-18,21,35H,19-20H2,1-4H3,(H,41,46).

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

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 741.22 g/mol, XLogP of 6.44, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 43819869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).