1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C25H22FN3O2S — CID 46016414

About 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 46016414) has the molecular formula C25H22FN3O2S and a molecular weight of 447.54 g/mol. Its IUPAC name is 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

• Compound Name: 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
• PubChem CID: 46016414
• Molecular Formula: C25H22FN3O2S
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.14
• IUPAC Name: 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCSC23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1
• InChI: InChI=1S/C25H22FN3O2S/c1-17-9-11-20(12-10-17)27-24(31)29-13-14-32-25(29)21-7-2-3-8-22(21)28(23(25)30)16-18-5-4-6-19(26)15-18/h2-12,15H,13-14,16H2,1H3,(H,27,31)
• InChIKey: PLZDJEREVGEEFR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The IUPAC name of 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 46016414) is 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

What is the SMILES notation for 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The canonical SMILES for 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1ccc(NC(=O)N2CCSC23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1.

What is the InChIKey of 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The InChIKey is PLZDJEREVGEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2S/c1-17-9-11-20(12-10-17)27-24(31)29-13-14-32-25(29)21-7-2-3-8-22(21)28(23(25)30)16-18-5-4-6-19(26)15-18/h2-12,15H,13-14,16H2,1H3,(H,27,31).

What are the key properties of 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 46016414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).