3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide

C28H25N3O3S — CID 60553589

About 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide

3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide (PubChem CID 60553589) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide
• PubChem CID: 60553589
• Molecular Formula: C28H25N3O3S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.16
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide
• SMILES: CC(Cc1nc2ccccc2s1)(C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1
• InChI: InChI=1S/C28H25N3O3S/c1-28(19-8-3-2-4-9-19,18-24-30-22-10-5-6-11-23(22)35-24)27(34)29-20-14-16-21(17-15-20)31-25(32)12-7-13-26(31)33/h2-6,8-11,14-17H,7,12-13,18H2,1H3,(H,29,34)
• InChIKey: BLRMOHNERZBAIB-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide (CID 60553589) is 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide is CC(Cc1nc2ccccc2s1)(C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide?

The InChIKey is BLRMOHNERZBAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3S/c1-28(19-8-3-2-4-9-19,18-24-30-22-10-5-6-11-23(22)35-24)27(34)29-20-14-16-21(17-15-20)31-25(32)12-7-13-26(31)33/h2-6,8-11,14-17H,7,12-13,18H2,1H3,(H,29,34).

What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide?

3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide has a molecular weight of 483.59 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 60553589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).