(2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C24H18F2N2O4S — CID 41434949

IUPAC(2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccccc1CN1C(=O)[C@@]2(c3ccccc31)N(c1ccc(F)c(F)c1)C(=O)CS2(=O)=O
InChIInChI=1S/C24H18F2N2O4S/c1-15-6-2-3-7-16(15)13-27-21-9-5-4-8-18(21)24(23(27)30)28(22(29)14-33(24,31)32)17-10-11-19(25)20(26)12-17/h2-12H,13-14H2,1H3/t24-/m0/s1
InChIKeyKKIBBZJAZUQMPE-DEOSSOPVSA-N
MW468.48 g/mol
LogP3.43
Rot. Bonds3

About (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 41434949) has the molecular formula C24H18F2N2O4S and a molecular weight of 468.48 g/mol. Its IUPAC name is (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID41434949
Molecular FormulaC24H18F2N2O4S
Molecular Weight468.48 g/mol
Exact Mass468.10
IUPAC Name(2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccccc1CN1C(=O)[C@@]2(c3ccccc31)N(c1ccc(F)c(F)c1)C(=O)CS2(=O)=O
InChIInChI=1S/C24H18F2N2O4S/c1-15-6-2-3-7-16(15)13-27-21-9-5-4-8-18(21)24(23(27)30)28(22(29)14-33(24,31)32)17-10-11-19(25)20(26)12-17/h2-12H,13-14H2,1H3/t24-/m0/s1
InChIKeyKKIBBZJAZUQMPE-DEOSSOPVSA-N
XLogP3.43
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592111
3-(3-fluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927192
(2S)-3-(3-chlorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 41434943
1'-[(2-chlorophenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 16956603
1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927151
1'-[(2-methylphenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 16956424
1'-[(3-chlorophenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592175
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-methylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424205
1'-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927204
3-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927156
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 41434949) is (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is Cc1ccccc1CN1C(=O)[C@@]2(c3ccccc31)N(c1ccc(F)c(F)c1)C(=O)CS2(=O)=O.
What is the InChIKey of (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is KKIBBZJAZUQMPE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H18F2N2O4S/c1-15-6-2-3-7-16(15)13-27-21-9-5-4-8-18(21)24(23(27)30)28(22(29)14-33(24,31)32)17-10-11-19(25)20(26)12-17/h2-12H,13-14H2,1H3/t24-/m0/s1.
What are the key properties of (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 468.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 41434949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).