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

C26H23ClN2O5S — CID 40814454

IUPAC(2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCOc1ccc(N2C(=O)CS(=O)(=O)[C@@]23C(=O)N(Cc2cc(C)ccc2C)c2ccccc23)cc1Cl
InChIInChI=1S/C26H23ClN2O5S/c1-16-8-9-17(2)18(12-16)14-28-22-7-5-4-6-20(22)26(25(28)31)29(24(30)15-35(26,32)33)19-10-11-23(34-3)21(27)13-19/h4-13H,14-15H2,1-3H3/t26-/m0/s1
InChIKeyNXAROYHFBWJBHR-SANMLTNESA-N
MW511.00 g/mol
LogP4.13
Rot. Bonds4

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

(2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 40814454) has the molecular formula C26H23ClN2O5S and a molecular weight of 511.00 g/mol. Its IUPAC name is (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID40814454
Molecular FormulaC26H23ClN2O5S
Molecular Weight511.00 g/mol
Exact Mass510.10
IUPAC Name(2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCOc1ccc(N2C(=O)CS(=O)(=O)[C@@]23C(=O)N(Cc2cc(C)ccc2C)c2ccccc23)cc1Cl
InChIInChI=1S/C26H23ClN2O5S/c1-16-8-9-17(2)18(12-16)14-28-22-7-5-4-6-20(22)26(25(28)31)29(24(30)15-35(26,32)33)19-10-11-23(34-3)21(27)13-19/h4-13H,14-15H2,1-3H3/t26-/m0/s1
InChIKeyNXAROYHFBWJBHR-SANMLTNESA-N
XLogP4.13
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.00
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione with MolForge

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Related Compounds

1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927204
1'-[(2,5-dimethylphenyl)methyl]-3-(3-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927202
3-(3-chloro-4-methoxyphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927158
3-(3-chloro-4-fluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592111
1'-[(2-chlorophenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 16956603
(2S)-3-(3-chlorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 41434943
3-(3-chloro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424205
(2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 41434949
3-(3-fluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927192
1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592123
1'-[(3-chlorophenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592175
(2S)-3-(3-ethylphenyl)-1'-[(4-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692526

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 40814454) is (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is COc1ccc(N2C(=O)CS(=O)(=O)[C@@]23C(=O)N(Cc2cc(C)ccc2C)c2ccccc23)cc1Cl.
What is the InChIKey of (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is NXAROYHFBWJBHR-SANMLTNESA-N. The full InChI is InChI=1S/C26H23ClN2O5S/c1-16-8-9-17(2)18(12-16)14-28-22-7-5-4-6-20(22)26(25(28)31)29(24(30)15-35(26,32)33)19-10-11-23(34-3)21(27)13-19/h4-13H,14-15H2,1-3H3/t26-/m0/s1.
What are the key properties of (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 511.00 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-chloro-4-methoxyphenyl)-1'-[(2,5-dimethylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 40814454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).