1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C26H25N3O2S — CID 46015155

About 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 46015155) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

• Compound Name: 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
• PubChem CID: 46015155
• Molecular Formula: C26H25N3O2S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.17
• IUPAC Name: 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
• SMILES: CC1(C)CN(C(=O)Nc2ccccc2)C2(S1)C(=O)N(Cc1ccccc1)c1ccccc12
• InChI: InChI=1S/C26H25N3O2S/c1-25(2)18-29(24(31)27-20-13-7-4-8-14-20)26(32-25)21-15-9-10-16-22(21)28(23(26)30)17-19-11-5-3-6-12-19/h3-16H,17-18H2,1-2H3,(H,27,31)
• InChIKey: GPRMRUMNNSLVHM-UHFFFAOYSA-N
• XLogP: 5.45
• 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	443.57
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The IUPAC name of 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 46015155) is 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

What is the SMILES notation for 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The canonical SMILES for 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is CC1(C)CN(C(=O)Nc2ccccc2)C2(S1)C(=O)N(Cc1ccccc1)c1ccccc12.

What is the InChIKey of 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The InChIKey is GPRMRUMNNSLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-25(2)18-29(24(31)27-20-13-7-4-8-14-20)26(32-25)21-15-9-10-16-22(21)28(23(26)30)17-19-11-5-3-6-12-19/h3-16H,17-18H2,1-2H3,(H,27,31).

What are the key properties of 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 46015155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).