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

C25H22FN3O2S — CID 93180172

IUPAC(2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccccc1CN1C(=O)[C@]2(SCCN2C(=O)Nc2ccccc2F)c2ccccc21
InChIInChI=1S/C25H22FN3O2S/c1-17-8-2-3-9-18(17)16-28-22-13-7-4-10-19(22)25(23(28)30)29(14-15-32-25)24(31)27-21-12-6-5-11-20(21)26/h2-13H,14-16H2,1H3,(H,27,31)/t25-/m1/s1
InChIKeyKAWKTKKOAAYYOP-RUZDIDTESA-N
MW447.54 g/mol
LogP5.11
Rot. Bonds3

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

(2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93180172) has the molecular formula C25H22FN3O2S and a molecular weight of 447.54 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93180172
Molecular FormulaC25H22FN3O2S
Molecular Weight447.54 g/mol
Exact Mass447.14
IUPAC Name(2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccccc1CN1C(=O)[C@]2(SCCN2C(=O)Nc2ccccc2F)c2ccccc21
InChIInChI=1S/C25H22FN3O2S/c1-17-8-2-3-9-18(17)16-28-22-13-7-4-10-19(22)25(23(28)30)29(14-15-32-25)24(31)27-21-12-6-5-11-20(21)26/h2-13H,14-16H2,1H3,(H,27,31)/t25-/m1/s1
InChIKeyKAWKTKKOAAYYOP-RUZDIDTESA-N
XLogP5.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180174
3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015256
(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93185978
1'-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839123
1'-[(2,6-difluorophenyl)methyl]-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016666
(2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93181878
(2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180742
1'-[(2,4-difluorophenyl)methyl]-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016675
N-(4-fluorophenyl)-1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016441
(2S)-5'-methoxy-N-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185242
(2S)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185542
5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016591

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93180172) is (2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1ccccc1CN1C(=O)[C@]2(SCCN2C(=O)Nc2ccccc2F)c2ccccc21.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is KAWKTKKOAAYYOP-RUZDIDTESA-N. The full InChI is InChI=1S/C25H22FN3O2S/c1-17-8-2-3-9-18(17)16-28-22-13-7-4-10-19(22)25(23(28)30)29(14-15-32-25)24(31)27-21-12-6-5-11-20(21)26/h2-13H,14-16H2,1H3,(H,27,31)/t25-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93180172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).