2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide

C26H23N3O2S — CID 2537370

About 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide

2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide (PubChem CID 2537370) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide
• PubChem CID: 2537370
• Molecular Formula: C26H23N3O2S
• Molecular Weight: 441.56 g/mol
• Exact Mass: 441.15
• IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide
• SMILES: O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C26H23N3O2S/c30-24(27-20-12-5-4-11-19(20)25(31)18-9-2-1-3-10-18)17-29-16-8-14-22(29)26-28-21-13-6-7-15-23(21)32-26/h1-7,9-13,15,22H,8,14,16-17H2,(H,27,30)/t22-/m1/s1
• InChIKey: JFVMPYGFTVPGEM-JOCHJYFZSA-N
• XLogP: 5.30
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.56
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide?

The IUPAC name of 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide (CID 2537370) is 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide.

What is the SMILES notation for 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide?

The canonical SMILES for 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide is O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1C(=O)c1ccccc1.

What is the InChIKey of 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide?

The InChIKey is JFVMPYGFTVPGEM-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23N3O2S/c30-24(27-20-12-5-4-11-19(20)25(31)18-9-2-1-3-10-18)17-29-16-8-14-22(29)26-28-21-13-6-7-15-23(21)32-26/h1-7,9-13,15,22H,8,14,16-17H2,(H,27,30)/t22-/m1/s1.

What are the key properties of 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide?

2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide has a molecular weight of 441.56 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-benzoylphenyl)acetamide is sourced from PubChem (CID 2537370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).