(2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C26H24FN3O2S — CID 93180305

IUPAC(2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccccc2)[C@]2(S1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C26H24FN3O2S/c1-25(2)17-30(24(32)28-20-8-4-3-5-9-20)26(33-25)21-10-6-7-11-22(21)29(23(26)31)16-18-12-14-19(27)15-13-18/h3-15H,16-17H2,1-2H3,(H,28,32)/t26-/m1/s1
InChIKeyJNNVFZNRUDMLGY-AREMUKBSSA-N
MW461.56 g/mol
LogP5.58
Rot. Bonds3

About (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93180305) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93180305
Molecular FormulaC26H24FN3O2S
Molecular Weight461.56 g/mol
Exact Mass461.16
IUPAC Name(2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccccc2)[C@]2(S1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C26H24FN3O2S/c1-25(2)17-30(24(32)28-20-8-4-3-5-9-20)26(33-25)21-10-6-7-11-22(21)29(23(26)31)16-18-12-14-19(27)15-13-18/h3-15H,16-17H2,1-2H3,(H,28,32)/t26-/m1/s1
InChIKeyJNNVFZNRUDMLGY-AREMUKBSSA-N
XLogP5.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015152
1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015155
1'-benzyl-N-(3-fluorophenyl)-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015159
1'-benzyl-5,5-dimethyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015157
1'-benzyl-3-(4-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015298
(2R)-3-(2-fluorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180917
3-(cyclobutanecarbonyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015286
(2R)-3-(cyclobutanecarbonyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180893
1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015144
1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015290
1'-ethyl-5'-fluoro-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015085
1'-ethyl-N-(3-fluorophenyl)-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015169

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93180305) is (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is CC1(C)CN(C(=O)Nc2ccccc2)[C@]2(S1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12.
What is the InChIKey of (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is JNNVFZNRUDMLGY-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c1-25(2)17-30(24(32)28-20-8-4-3-5-9-20)26(33-25)21-10-6-7-11-22(21)29(23(26)31)16-18-12-14-19(27)15-13-18/h3-15H,16-17H2,1-2H3,(H,28,32)/t26-/m1/s1.
What are the key properties of (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93180305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).