(2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C24H19ClFN3O2S — CID 93181878

IUPAC(2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCS[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12
InChIInChI=1S/C24H19ClFN3O2S/c25-20-7-3-1-5-16(20)15-28-21-8-4-2-6-19(21)24(22(28)30)29(13-14-32-24)23(31)27-18-11-9-17(26)10-12-18/h1-12H,13-15H2,(H,27,31)/t24-/m1/s1
InChIKeyJYIQOIUIJIKHEU-XMMPIXPASA-N
MW467.95 g/mol
LogP5.46
Rot. Bonds3

About (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93181878) has the molecular formula C24H19ClFN3O2S and a molecular weight of 467.95 g/mol. Its IUPAC name is (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93181878
Molecular FormulaC24H19ClFN3O2S
Molecular Weight467.95 g/mol
Exact Mass467.09
IUPAC Name(2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCS[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12
InChIInChI=1S/C24H19ClFN3O2S/c25-20-7-3-1-5-16(20)15-28-21-8-4-2-6-19(21)24(22(28)30)29(13-14-32-24)23(31)27-18-11-9-17(26)10-12-18/h1-12H,13-15H2,(H,27,31)/t24-/m1/s1
InChIKeyJYIQOIUIJIKHEU-XMMPIXPASA-N
XLogP5.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.95
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839140
(2S)-N-(3-chlorophenyl)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185076
(2S)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185542
N-(4-fluorophenyl)-1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016441
1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016467
1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016414
1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016977
1'-[(2,4-difluorophenyl)methyl]-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016675
1'-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839123
(2R)-N-(3-chlorophenyl)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185348
(2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180172
(2S)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180174

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93181878) is (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is O=C(Nc1ccc(F)cc1)N1CCS[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12.
What is the InChIKey of (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is JYIQOIUIJIKHEU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19ClFN3O2S/c25-20-7-3-1-5-16(20)15-28-21-8-4-2-6-19(21)24(22(28)30)29(13-14-32-24)23(31)27-18-11-9-17(26)10-12-18/h1-12H,13-15H2,(H,27,31)/t24-/m1/s1.
What are the key properties of (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 467.95 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93181878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).