5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C23H21N3O4S — CID 24509638

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 24509638) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 24509638
• Molecular Formula: C23H21N3O4S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.13
• IUPAC Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
• SMILES: COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1nc(C(C)C)cs1
• InChI: InChI=1S/C23H21N3O4S/c1-13(2)18-12-31-23(24-18)25-20(27)17-10-14(8-9-19(17)30-3)11-26-21(28)15-6-4-5-7-16(15)22(26)29/h4-10,12-13H,11H2,1-3H3,(H,24,25,27)
• InChIKey: RKBOVDQOBZINPO-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 24509638) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1nc(C(C)C)cs1.

What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?

The InChIKey is RKBOVDQOBZINPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-13(2)18-12-31-23(24-18)25-20(27)17-10-14(8-9-19(17)30-3)11-26-21(28)15-6-4-5-7-16(15)22(26)29/h4-10,12-13H,11H2,1-3H3,(H,24,25,27).

What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 435.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 24509638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).