N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide

C33H25N3O3S — CID 142384366

About N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide

N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 142384366) has the molecular formula C33H25N3O3S and a molecular weight of 543.65 g/mol. Its IUPAC name is N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 142384366
• Molecular Formula: C33H25N3O3S
• Molecular Weight: 543.65 g/mol
• Exact Mass: 543.16
• IUPAC Name: N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide
• SMILES: O=C(N[C@H](Cc1ccccc1)CN1C(=O)c2ccccc2C1=O)c1ccccc1-c1ncc(-c2ccccc2)s1
• InChI: InChI=1S/C33H25N3O3S/c37-30(25-15-7-8-16-26(25)31-34-20-29(40-31)23-13-5-2-6-14-23)35-24(19-22-11-3-1-4-12-22)21-36-32(38)27-17-9-10-18-28(27)33(36)39/h1-18,20,24H,19,21H2,(H,35,37)/t24-/m1/s1
• InChIKey: GGAWIFMKJPAYMM-XMMPIXPASA-N
• XLogP: 6.11
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.65
LogP ≤ 5	6.11
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 N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide (CID 142384366) is N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide is O=C(N[C@H](Cc1ccccc1)CN1C(=O)c2ccccc2C1=O)c1ccccc1-c1ncc(-c2ccccc2)s1.

What is the InChIKey of N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide?

The InChIKey is GGAWIFMKJPAYMM-XMMPIXPASA-N. The full InChI is InChI=1S/C33H25N3O3S/c37-30(25-15-7-8-16-26(25)31-34-20-29(40-31)23-13-5-2-6-14-23)35-24(19-22-11-3-1-4-12-22)21-36-32(38)27-17-9-10-18-28(27)33(36)39/h1-18,20,24H,19,21H2,(H,35,37)/t24-/m1/s1.

What are the key properties of N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide?

N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 543.65 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 142384366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).