1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C26H24N2O4S — CID 20927202

IUPAC1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1cccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2cc(C)ccc2C)c2ccccc23)c1
InChIInChI=1S/C26H24N2O4S/c1-17-7-6-8-21(14-17)28-24(29)16-33(31,32)26(28)22-9-4-5-10-23(22)27(25(26)30)15-20-13-18(2)11-12-19(20)3/h4-14H,15-16H2,1-3H3
InChIKeyZMOGPDHHTDTQSG-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.77
Rot. Bonds3

About 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 20927202) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID20927202
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1cccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2cc(C)ccc2C)c2ccccc23)c1
InChIInChI=1S/C26H24N2O4S/c1-17-7-6-8-21(14-17)28-24(29)16-33(31,32)26(28)22-9-4-5-10-23(22)27(25(26)30)15-20-13-18(2)11-12-19(20)3/h4-14H,15-16H2,1-3H3
InChIKeyZMOGPDHHTDTQSG-UHFFFAOYSA-N
XLogP3.77
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 20927202) is 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is Cc1cccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2cc(C)ccc2C)c2ccccc23)c1.
What is the InChIKey of 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is ZMOGPDHHTDTQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-17-7-6-8-21(14-17)28-24(29)16-33(31,32)26(28)22-9-4-5-10-23(22)27(25(26)30)15-20-13-18(2)11-12-19(20)3/h4-14H,15-16H2,1-3H3.
What are the key properties of 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 460.56 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 20927202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).