1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C23H25ClN2O3S — CID 46017184

About 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46017184) has the molecular formula C23H25ClN2O3S and a molecular weight of 444.98 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

• Compound Name: 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• PubChem CID: 46017184
• Molecular Formula: C23H25ClN2O3S
• Molecular Weight: 444.98 g/mol
• Exact Mass: 444.13
• IUPAC Name: 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• SMILES: COc1ccc2c(c1)C1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1ccccc1Cl
• InChI: InChI=1S/C23H25ClN2O3S/c1-15(2)12-21(27)26-10-11-30-23(26)18-13-17(29-3)8-9-20(18)25(22(23)28)14-16-6-4-5-7-19(16)24/h4-9,13,15H,10-12,14H2,1-3H3
• InChIKey: CGKKJIVOASPYCK-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.98
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The IUPAC name of 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46017184) is 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

What is the SMILES notation for 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The canonical SMILES for 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is COc1ccc2c(c1)C1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1ccccc1Cl.

What is the InChIKey of 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The InChIKey is CGKKJIVOASPYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3S/c1-15(2)12-21(27)26-10-11-30-23(26)18-13-17(29-3)8-9-20(18)25(22(23)28)14-16-6-4-5-7-19(16)24/h4-9,13,15H,10-12,14H2,1-3H3.

What are the key properties of 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 444.98 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46017184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).