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

C25H22N2O3S — CID 171321059

IUPAC3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCOc1ccc(N2C(=O)CSC23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1
InChIInChI=1S/C25H22N2O3S/c1-17-7-3-4-8-18(17)15-26-22-10-6-5-9-21(22)25(24(26)29)27(23(28)16-31-25)19-11-13-20(30-2)14-12-19/h3-14H,15-16H2,1-2H3
InChIKeyJHDJKNCAGNKSSL-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.48
Rot. Bonds4

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

3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 171321059) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID171321059
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCOc1ccc(N2C(=O)CSC23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1
InChIInChI=1S/C25H22N2O3S/c1-17-7-3-4-8-18(17)15-26-22-10-6-5-9-21(22)25(24(26)29)27(23(28)16-31-25)19-11-13-20(30-2)14-12-19/h3-14H,15-16H2,1-2H3
InChIKeyJHDJKNCAGNKSSL-UHFFFAOYSA-N
XLogP4.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17138852
(2S)-1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92650910
N-(4-methoxyphenyl)-2-[(2R)-3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692039
(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42558804
3-(3,5-dimethoxyphenyl)-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922167
N-(4-fluorophenyl)-2-[(2R)-3-(4-methoxyphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608180
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692090
3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922219
1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922138
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594
N-(3,5-dimethoxyphenyl)-2-[(2R)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691979
2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 51608192

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 171321059) is 3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is COc1ccc(N2C(=O)CSC23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is JHDJKNCAGNKSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-17-7-3-4-8-18(17)15-26-22-10-6-5-9-21(22)25(24(26)29)27(23(28)16-31-25)19-11-13-20(30-2)14-12-19/h3-14H,15-16H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 430.53 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 171321059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).