(2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C26H22F3N3O3S — CID 93185414

About (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93185414) has the molecular formula C26H22F3N3O3S and a molecular weight of 513.54 g/mol. Its IUPAC name is (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

• Compound Name: (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
• PubChem CID: 93185414
• Molecular Formula: C26H22F3N3O3S
• Molecular Weight: 513.54 g/mol
• Exact Mass: 513.13
• IUPAC Name: (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
• SMILES: COc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C26H22F3N3O3S/c1-35-20-10-11-22-21(15-20)25(32(12-13-36-25)24(34)30-19-8-3-2-4-9-19)23(33)31(22)16-17-6-5-7-18(14-17)26(27,28)29/h2-11,14-15H,12-13,16H2,1H3,(H,30,34)/t25-/m1/s1
• InChIKey: AIMLJWHWXHWRAW-RUZDIDTESA-N
• XLogP: 5.69
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.54
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The IUPAC name of (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93185414) is (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

What is the SMILES notation for (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The canonical SMILES for (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is COc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1cccc(C(F)(F)F)c1.

What is the InChIKey of (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The InChIKey is AIMLJWHWXHWRAW-RUZDIDTESA-N. The full InChI is InChI=1S/C26H22F3N3O3S/c1-35-20-10-11-22-21(15-20)25(32(12-13-36-25)24(34)30-19-8-3-2-4-9-19)23(33)31(22)16-17-6-5-7-18(14-17)26(27,28)29/h2-11,14-15H,12-13,16H2,1H3,(H,30,34)/t25-/m1/s1.

What are the key properties of (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

(2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 513.54 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93185414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).