1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C25H19F3N2O4S — CID 16956424

IUPAC1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccccc1CN1C(=O)C2(c3ccccc31)N(c1cccc(C(F)(F)F)c1)C(=O)CS2(=O)=O
InChIInChI=1S/C25H19F3N2O4S/c1-16-7-2-3-8-17(16)14-29-21-12-5-4-11-20(21)24(23(29)32)30(22(31)15-35(24,33)34)19-10-6-9-18(13-19)25(26,27)28/h2-13H,14-15H2,1H3
InChIKeyVZPOYDOQBLWUJV-UHFFFAOYSA-N
MW500.50 g/mol
LogP4.18
Rot. Bonds3

About 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 16956424) has the molecular formula C25H19F3N2O4S and a molecular weight of 500.50 g/mol. Its IUPAC name is 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID16956424
Molecular FormulaC25H19F3N2O4S
Molecular Weight500.50 g/mol
Exact Mass500.10
IUPAC Name1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccccc1CN1C(=O)C2(c3ccccc31)N(c1cccc(C(F)(F)F)c1)C(=O)CS2(=O)=O
InChIInChI=1S/C25H19F3N2O4S/c1-16-7-2-3-8-17(16)14-29-21-12-5-4-11-20(21)24(23(29)32)30(22(31)15-35(24,33)34)19-10-6-9-18(13-19)25(26,27)28/h2-13H,14-15H2,1H3
InChIKeyVZPOYDOQBLWUJV-UHFFFAOYSA-N
XLogP4.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 16956424) is 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is Cc1ccccc1CN1C(=O)C2(c3ccccc31)N(c1cccc(C(F)(F)F)c1)C(=O)CS2(=O)=O.
What is the InChIKey of 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is VZPOYDOQBLWUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O4S/c1-16-7-2-3-8-17(16)14-29-21-12-5-4-11-20(21)24(23(29)32)30(22(31)15-35(24,33)34)19-10-6-9-18(13-19)25(26,27)28/h2-13H,14-15H2,1H3.
What are the key properties of 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 500.50 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 16956424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).