2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide

C31H25N5O6S — CID 167275814

About 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 167275814) has the molecular formula C31H25N5O6S and a molecular weight of 595.64 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
• PubChem CID: 167275814
• Molecular Formula: C31H25N5O6S
• Molecular Weight: 595.64 g/mol
• Exact Mass: 595.15
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
• SMILES: O=C(Cc1cccc2ccccc12)NCc1cnc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)s1
• InChI: InChI=1S/C31H25N5O6S/c37-25-11-10-24(29(40)35-25)36-30(41)22-9-8-19(12-23(22)31(36)42)28(39)34-16-27-33-15-20(43-27)14-32-26(38)13-18-6-3-5-17-4-1-2-7-21(17)18/h1-9,12,15,24H,10-11,13-14,16H2,(H,32,38)(H,34,39)(H,35,37,40)
• InChIKey: QKNXJWZURIAXOW-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 154.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.64
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide (CID 167275814) is 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide is O=C(Cc1cccc2ccccc12)NCc1cnc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)s1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The InChIKey is QKNXJWZURIAXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O6S/c37-25-11-10-24(29(40)35-25)36-30(41)22-9-8-19(12-23(22)31(36)42)28(39)34-16-27-33-15-20(43-27)14-32-26(38)13-18-6-3-5-17-4-1-2-7-21(17)18/h1-9,12,15,24H,10-11,13-14,16H2,(H,32,38)(H,34,39)(H,35,37,40).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?

2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 595.64 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 167275814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).