(2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C25H23N3O2S — CID 93184631

IUPAC(2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)Nc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C25H23N3O2S/c1-18-8-7-9-19(16-18)17-27-22-13-6-5-12-21(22)25(23(27)29)28(14-15-31-25)24(30)26-20-10-3-2-4-11-20/h2-13,16H,14-15,17H2,1H3,(H,26,30)/t25-/m1/s1
InChIKeyPZQYSCQOSBHVBA-RUZDIDTESA-N
MW429.55 g/mol
LogP4.98
Rot. Bonds3

About (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93184631) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93184631
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name(2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)Nc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C25H23N3O2S/c1-18-8-7-9-19(16-18)17-27-22-13-6-5-12-21(22)25(23(27)29)28(14-15-31-25)24(30)26-20-10-3-2-4-11-20/h2-13,16H,14-15,17H2,1H3,(H,26,30)/t25-/m1/s1
InChIKeyPZQYSCQOSBHVBA-RUZDIDTESA-N
XLogP4.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-fluorophenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184644
(2S)-N-(3-methoxyphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184627
(2S)-N-ethyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184629
1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016414
(2R)-5'-fluoro-N-(3-methylphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185010
(2S)-5'-chloro-N-(3-methylphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185102
1'-[(2,6-difluorophenyl)methyl]-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016666
(2R)-1'-[(3-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186074
(2S)-1'-[(3,4-difluorophenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185599
1'-[(2,4-difluorophenyl)methyl]-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016675
(2R)-5'-fluoro-N-(4-methoxyphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184993
N-ethyl-5'-methyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016456

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93184631) is (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)Nc3ccccc3)c3ccccc32)c1.
What is the InChIKey of (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is PZQYSCQOSBHVBA-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-18-8-7-9-19(16-18)17-27-22-13-6-5-12-21(22)25(23(27)29)28(14-15-31-25)24(30)26-20-10-3-2-4-11-20/h2-13,16H,14-15,17H2,1H3,(H,26,30)/t25-/m1/s1.
What are the key properties of (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-[(3-methylphenyl)methyl]-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93184631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).