(2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C26H24ClN3O2S — CID 93184836

IUPAC(2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccc(CN2C(=O)[C@]3(SCCN3C(=O)Nc3ccc(Cl)cc3)c3cc(C)ccc32)cc1
InChIInChI=1S/C26H24ClN3O2S/c1-17-3-6-19(7-4-17)16-29-23-12-5-18(2)15-22(23)26(24(29)31)30(13-14-33-26)25(32)28-21-10-8-20(27)9-11-21/h3-12,15H,13-14,16H2,1-2H3,(H,28,32)/t26-/m1/s1
InChIKeyZPUKQXNVWMAXTJ-AREMUKBSSA-N
MW478.02 g/mol
LogP5.94
Rot. Bonds3

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

(2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93184836) has the molecular formula C26H24ClN3O2S and a molecular weight of 478.02 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93184836
Molecular FormulaC26H24ClN3O2S
Molecular Weight478.02 g/mol
Exact Mass477.13
IUPAC Name(2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccc(CN2C(=O)[C@]3(SCCN3C(=O)Nc3ccc(Cl)cc3)c3cc(C)ccc32)cc1
InChIInChI=1S/C26H24ClN3O2S/c1-17-3-6-19(7-4-17)16-29-23-12-5-18(2)15-22(23)26(24(29)31)30(13-14-33-26)25(32)28-21-10-8-20(27)9-11-21/h3-12,15H,13-14,16H2,1-2H3,(H,28,32)/t26-/m1/s1
InChIKeyZPUKQXNVWMAXTJ-AREMUKBSSA-N
XLogP5.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.02
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185659
N-(3-chlorophenyl)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016712
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185730
(2S)-5'-chloro-N-(3-methylphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185102
5'-methoxy-N-(4-methylphenyl)-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839148
N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016693
N-(4-fluorophenyl)-1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016441
(2S)-N-(3-chlorophenyl)-1'-[(3-methoxyphenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184908
(2R)-3-(4-chlorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180828
(2S)-5'-methyl-3-(4-methylbenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186295
(2S)-5'-fluoro-N-(3-fluoro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184973
(2R)-1'-[(2,6-difluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185643

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93184836) is (2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1ccc(CN2C(=O)[C@]3(SCCN3C(=O)Nc3ccc(Cl)cc3)c3cc(C)ccc32)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is ZPUKQXNVWMAXTJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24ClN3O2S/c1-17-3-6-19(7-4-17)16-29-23-12-5-18(2)15-22(23)26(24(29)31)30(13-14-33-26)25(32)28-21-10-8-20(27)9-11-21/h3-12,15H,13-14,16H2,1-2H3,(H,28,32)/t26-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 478.02 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93184836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).