2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide

C38H35N5O7S2 — CID 178026625

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 178026625) has the molecular formula C38H35N5O7S2 and a molecular weight of 737.86 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 178026625
• Molecular Formula: C38H35N5O7S2
• Molecular Weight: 737.86 g/mol
• Exact Mass: 737.20
• IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide
• SMILES: COc1ccc(C)cc1N(CC(=O)Nc1ccc(C)c(Cc2ccc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)cc2)c1)S(C)(=O)=O
• InChI: InChI=1S/C38H35N5O7S2/c1-23-9-16-33(50-3)32(17-23)43(52(4,48)49)21-35(45)39-28-15-10-24(2)27(19-28)18-25-11-13-26(14-12-25)31-22-51-38(40-31)41-34(44)20-42-36(46)29-7-5-6-8-30(29)37(42)47/h5-17,19,22H,18,20-21H2,1-4H3,(H,39,45)(H,40,41,44)
• InChIKey: WIWVIQITQITARV-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 155.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.86
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide (CID 178026625) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide is COc1ccc(C)cc1N(CC(=O)Nc1ccc(C)c(Cc2ccc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)cc2)c1)S(C)(=O)=O.

What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is WIWVIQITQITARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N5O7S2/c1-23-9-16-33(50-3)32(17-23)43(52(4,48)49)21-35(45)39-28-15-10-24(2)27(19-28)18-25-11-13-26(14-12-25)31-22-51-38(40-31)41-34(44)20-42-36(46)29-7-5-6-8-30(29)37(42)47/h5-17,19,22H,18,20-21H2,1-4H3,(H,39,45)(H,40,41,44).

What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide?

2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 737.86 g/mol, XLogP of 5.67, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 178026625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).