(2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C25H20F3N3O2S — CID 93184973

IUPAC(2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc23)cc1F
InChIInChI=1S/C25H20F3N3O2S/c1-15-2-8-19(13-21(15)28)29-24(33)31-10-11-34-25(31)20-12-18(27)7-9-22(20)30(23(25)32)14-16-3-5-17(26)6-4-16/h2-9,12-13H,10-11,14H2,1H3,(H,29,33)/t25-/m0/s1
InChIKeyNYPVSCRBBYNAPU-VWLOTQADSA-N
MW483.52 g/mol
LogP5.39
Rot. Bonds3

About (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93184973) has the molecular formula C25H20F3N3O2S and a molecular weight of 483.52 g/mol. Its IUPAC name is (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93184973
Molecular FormulaC25H20F3N3O2S
Molecular Weight483.52 g/mol
Exact Mass483.12
IUPAC Name(2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc23)cc1F
InChIInChI=1S/C25H20F3N3O2S/c1-15-2-8-19(13-21(15)28)29-24(33)31-10-11-34-25(31)20-12-18(27)7-9-22(20)30(23(25)32)14-16-3-5-17(26)6-4-16/h2-9,12-13H,10-11,14H2,1H3,(H,29,33)/t25-/m0/s1
InChIKeyNYPVSCRBBYNAPU-VWLOTQADSA-N
XLogP5.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide 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

(2R)-N-(3,4-dimethylphenyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184958
(2R)-5'-fluoro-N-(3-methylphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185010
1'-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839140
(2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184836
1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839135
N-(3,4-dimethylphenyl)-1'-[(3-fluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016603
N-(4-fluorophenyl)-5'-methoxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016547
(2S)-N-(3,4-dimethylphenyl)-5'-methoxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 98423659
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185730
N-(3-chlorophenyl)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016712
(2R)-5'-fluoro-N-(4-methoxyphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184993
N-(4-fluorophenyl)-1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016441

Frequently Asked Questions

What is the IUPAC name of (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93184973) is (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1ccc(NC(=O)N2CCS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc23)cc1F.
What is the InChIKey of (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is NYPVSCRBBYNAPU-VWLOTQADSA-N. The full InChI is InChI=1S/C25H20F3N3O2S/c1-15-2-8-19(13-21(15)28)29-24(33)31-10-11-34-25(31)20-12-18(27)7-9-22(20)30(23(25)32)14-16-3-5-17(26)6-4-16/h2-9,12-13H,10-11,14H2,1H3,(H,29,33)/t25-/m0/s1.
What are the key properties of (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93184973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).