(2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C22H23FN2O3S — CID 93180584

IUPAC(2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)[C@]2(SC(C)(C)CN2C(=O)c2ccc(OC)cc2)c2cc(F)ccc21
InChIInChI=1S/C22H23FN2O3S/c1-5-24-18-11-8-15(23)12-17(18)22(20(24)27)25(13-21(2,3)29-22)19(26)14-6-9-16(28-4)10-7-14/h6-12H,5,13H2,1-4H3/t22-/m1/s1
InChIKeySEENXOJQPJUWLQ-JOCHJYFZSA-N
MW414.50 g/mol
LogP4.02
Rot. Bonds3

About (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93180584) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93180584
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name(2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)[C@]2(SC(C)(C)CN2C(=O)c2ccc(OC)cc2)c2cc(F)ccc21
InChIInChI=1S/C22H23FN2O3S/c1-5-24-18-11-8-15(23)12-17(18)22(20(24)27)25(13-21(2,3)29-22)19(26)14-6-9-16(28-4)10-7-14/h6-12H,5,13H2,1-4H3/t22-/m1/s1
InChIKeySEENXOJQPJUWLQ-JOCHJYFZSA-N
XLogP4.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one with MolForge

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Related Compounds

3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015216
1'-ethyl-5'-fluoro-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015085
(2R)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181079
(2S)-1'-benzyl-5'-chloro-3-(4-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181772
1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016983
1'-benzyl-3-(4-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015298
1'-ethyl-N-(3-fluorophenyl)-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015169
1'-[(2-fluorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017090
(2R)-1'-benzyl-3-(3-methoxybenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180554
(2R)-3-(3-chlorobenzoyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180873
3-(4-fluorobenzoyl)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015312
1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015290

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93180584) is (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is CCN1C(=O)[C@]2(SC(C)(C)CN2C(=O)c2ccc(OC)cc2)c2cc(F)ccc21.
What is the InChIKey of (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is SEENXOJQPJUWLQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-5-24-18-11-8-15(23)12-17(18)22(20(24)27)25(13-21(2,3)29-22)19(26)14-6-9-16(28-4)10-7-14/h6-12H,5,13H2,1-4H3/t22-/m1/s1.
What are the key properties of (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 414.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93180584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).