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

C26H24ClN3O2S — CID 46016467

IUPAC1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1cccc(NC(=O)N2CCSC23C(=O)N(Cc2ccccc2Cl)c2ccc(C)cc23)c1
InChIInChI=1S/C26H24ClN3O2S/c1-17-6-5-8-20(14-17)28-25(32)30-12-13-33-26(30)21-15-18(2)10-11-23(21)29(24(26)31)16-19-7-3-4-9-22(19)27/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,32)
InChIKeyMGFPMMNHCNEOEX-UHFFFAOYSA-N
MW478.02 g/mol
LogP5.94
Rot. Bonds3

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

1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 46016467) has the molecular formula C26H24ClN3O2S and a molecular weight of 478.02 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID46016467
Molecular FormulaC26H24ClN3O2S
Molecular Weight478.02 g/mol
Exact Mass477.13
IUPAC Name1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1cccc(NC(=O)N2CCSC23C(=O)N(Cc2ccccc2Cl)c2ccc(C)cc23)c1
InChIInChI=1S/C26H24ClN3O2S/c1-17-6-5-8-20(14-17)28-25(32)30-12-13-33-26(30)21-15-18(2)10-11-23(21)29(24(26)31)16-19-7-3-4-9-22(19)27/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,32)
InChIKeyMGFPMMNHCNEOEX-UHFFFAOYSA-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

3-acetyl-1'-[(2-chlorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016894
1'-[(2,4-difluorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016705
(2S)-N-(3-chlorophenyl)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185076
(2R)-N-(3-chlorophenyl)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185348
1'-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839140
5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016591
(2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185259
(2S)-5'-chloro-N-(3-methylphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185102
(2S)-1'-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184746
(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'-[(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

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of 1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 46016467) is 1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for 1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for 1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1cccc(NC(=O)N2CCSC23C(=O)N(Cc2ccccc2Cl)c2ccc(C)cc23)c1.
What is the InChIKey of 1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is MGFPMMNHCNEOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2S/c1-17-6-5-8-20(14-17)28-25(32)30-12-13-33-26(30)21-15-18(2)10-11-23(21)29(24(26)31)16-19-7-3-4-9-22(19)27/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,32).
What are the key properties of 1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-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 1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 46016467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).