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

C26H24N2O5S — CID 20927204

IUPAC1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCOc1ccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2cc(C)ccc2C)c2ccccc23)cc1
InChIInChI=1S/C26H24N2O5S/c1-17-8-9-18(2)19(14-17)15-27-23-7-5-4-6-22(23)26(25(27)30)28(24(29)16-34(26,31)32)20-10-12-21(33-3)13-11-20/h4-14H,15-16H2,1-3H3
InChIKeyBLKMVDRQVWAQEY-UHFFFAOYSA-N
MW476.55 g/mol
LogP3.47
Rot. Bonds4

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

1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 20927204) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is 1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID20927204
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCOc1ccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2cc(C)ccc2C)c2ccccc23)cc1
InChIInChI=1S/C26H24N2O5S/c1-17-8-9-18(2)19(14-17)15-27-23-7-5-4-6-22(23)26(25(27)30)28(24(29)16-34(26,31)32)20-10-12-21(33-3)13-11-20/h4-14H,15-16H2,1-3H3
InChIKeyBLKMVDRQVWAQEY-UHFFFAOYSA-N
XLogP3.47
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 20927204) is 1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is COc1ccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2cc(C)ccc2C)c2ccccc23)cc1.
What is the InChIKey of 1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is BLKMVDRQVWAQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-17-8-9-18(2)19(14-17)15-27-23-7-5-4-6-22(23)26(25(27)30)28(24(29)16-34(26,31)32)20-10-12-21(33-3)13-11-20/h4-14H,15-16H2,1-3H3.
What are the key properties of 1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 476.55 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 20927204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).