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

C26H24N2O3S — CID 20922219

IUPAC3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCc1cccc(N2C(=O)CSC23C(=O)N(Cc2cccc(OC)c2)c2ccccc23)c1
InChIInChI=1S/C26H24N2O3S/c1-3-18-8-6-10-20(14-18)28-24(29)17-32-26(28)22-12-4-5-13-23(22)27(25(26)30)16-19-9-7-11-21(15-19)31-2/h4-15H,3,16-17H2,1-2H3
InChIKeyIOYONGBMPVYQDU-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.74
Rot. Bonds5

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

3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 20922219) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID20922219
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCc1cccc(N2C(=O)CSC23C(=O)N(Cc2cccc(OC)c2)c2ccccc23)c1
InChIInChI=1S/C26H24N2O3S/c1-3-18-8-6-10-20(14-18)28-24(29)17-32-26(28)22-12-4-5-13-23(22)27(25(26)30)16-19-9-7-11-21(15-19)31-2/h4-15H,3,16-17H2,1-2H3
InChIKeyIOYONGBMPVYQDU-UHFFFAOYSA-N
XLogP4.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922167
3-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3733061
3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922117
N-(4-chlorophenyl)-2-[3-(3-methoxyphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922384
3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 171321059
3-(4-fluorophenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922317
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594
3-(4-bromophenyl)-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922181
(2S)-1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92650910
1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922138
(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186213
N-(3,5-dimethoxyphenyl)-2-[(2R)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691979

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 20922219) is 3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is CCc1cccc(N2C(=O)CSC23C(=O)N(Cc2cccc(OC)c2)c2ccccc23)c1.
What is the InChIKey of 3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is IOYONGBMPVYQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-3-18-8-6-10-20(14-18)28-24(29)17-32-26(28)22-12-4-5-13-23(22)27(25(26)30)16-19-9-7-11-21(15-19)31-2/h4-15H,3,16-17H2,1-2H3.
What are the key properties of 3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 444.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 20922219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).