(2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C23H17BrN2O4S — CID 92692506

IUPAC(2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)(=O)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O4S/c24-17-10-12-18(13-11-17)26-21(27)15-31(29,30)23(26)19-8-4-5-9-20(19)25(22(23)28)14-16-6-2-1-3-7-16/h1-13H,14-15H2/t23-/m0/s1
InChIKeyKWHSGKPONFKPRO-QHCPKHFHSA-N
MW497.37 g/mol
LogP3.61
Rot. Bonds3

About (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 92692506) has the molecular formula C23H17BrN2O4S and a molecular weight of 497.37 g/mol. Its IUPAC name is (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID92692506
Molecular FormulaC23H17BrN2O4S
Molecular Weight497.37 g/mol
Exact Mass496.01
IUPAC Name(2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)(=O)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O4S/c24-17-10-12-18(13-11-17)26-21(27)15-31(29,30)23(26)19-8-4-5-9-20(19)25(22(23)28)14-16-6-2-1-3-7-16/h1-13H,14-15H2/t23-/m0/s1
InChIKeyKWHSGKPONFKPRO-QHCPKHFHSA-N
XLogP3.61
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927156
1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927151
1'-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592123
(2S)-3-(3-ethylphenyl)-1'-[(4-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692526
3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927161
(2S)-3-(3-ethylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692568
3-(3-chloro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424205
1'-[(3-chlorophenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592175
1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424744
3-(3-chloro-4-methoxyphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927158
(2S)-1'-[(3-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692594
(2S)-3-(3-chlorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 41434943

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 92692506) is (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS(=O)(=O)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccc(Br)cc1.
What is the InChIKey of (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is KWHSGKPONFKPRO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H17BrN2O4S/c24-17-10-12-18(13-11-17)26-21(27)15-31(29,30)23(26)19-8-4-5-9-20(19)25(22(23)28)14-16-6-2-1-3-7-16/h1-13H,14-15H2/t23-/m0/s1.
What are the key properties of (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 497.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 92692506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).