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

C25H21ClN2O4S — CID 18592123

IUPAC1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCc1ccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1
InChIInChI=1S/C25H21ClN2O4S/c1-2-17-11-13-19(14-12-17)28-23(29)16-33(31,32)25(28)20-8-4-6-10-22(20)27(24(25)30)15-18-7-3-5-9-21(18)26/h3-14H,2,15-16H2,1H3
InChIKeyKHPSQPVYWHFVMR-UHFFFAOYSA-N
MW480.97 g/mol
LogP4.06
Rot. Bonds4

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

1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 18592123) has the molecular formula C25H21ClN2O4S and a molecular weight of 480.97 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID18592123
Molecular FormulaC25H21ClN2O4S
Molecular Weight480.97 g/mol
Exact Mass480.09
IUPAC Name1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCc1ccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1
InChIInChI=1S/C25H21ClN2O4S/c1-2-17-11-13-19(14-12-17)28-23(29)16-33(31,32)25(28)20-8-4-6-10-22(20)27(24(25)30)15-18-7-3-5-9-21(18)26/h3-14H,2,15-16H2,1H3
InChIKeyKHPSQPVYWHFVMR-UHFFFAOYSA-N
XLogP4.06
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2-chlorophenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 16956603
3-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927156
(2S)-3-(3-ethylphenyl)-1'-[(4-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692526
3-(3-chloro-4-fluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592111
(2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692506
(2S)-3-(3-ethylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692568
(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
1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927151
3-(3-chloro-4-methoxyphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927158
(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

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 18592123) is 1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is CCc1ccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1.
What is the InChIKey of 1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is KHPSQPVYWHFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4S/c1-2-17-11-13-19(14-12-17)28-23(29)16-33(31,32)25(28)20-8-4-6-10-22(20)27(24(25)30)15-18-7-3-5-9-21(18)26/h3-14H,2,15-16H2,1H3.
What are the key properties of 1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 480.97 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 18592123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).