5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C24H19F3N2O3S2 — CID 42839214

IUPAC5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)C1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N2O3S2/c1-32-17-7-8-19-18(13-17)23(29(9-11-34-23)21(30)20-6-3-10-33-20)22(31)28(19)14-15-4-2-5-16(12-15)24(25,26)27/h2-8,10,12-13H,9,11,14H2,1H3
InChIKeyHPQYOJKKSULLPJ-UHFFFAOYSA-N
MW504.56 g/mol
LogP5.36
Rot. Bonds4

About 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 42839214) has the molecular formula C24H19F3N2O3S2 and a molecular weight of 504.56 g/mol. Its IUPAC name is 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID42839214
Molecular FormulaC24H19F3N2O3S2
Molecular Weight504.56 g/mol
Exact Mass504.08
IUPAC Name5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)C1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N2O3S2/c1-32-17-7-8-19-18(13-17)23(29(9-11-34-23)21(30)20-6-3-10-33-20)22(31)28(19)14-15-4-2-5-16(12-15)24(25,26)27/h2-8,10,12-13H,9,11,14H2,1H3
InChIKeyHPQYOJKKSULLPJ-UHFFFAOYSA-N
XLogP5.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(4-chlorobenzoyl)-5'-methoxy-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 98423605
1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016829
(2S)-3-(cyclopentanecarbonyl)-5'-methoxy-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187114
(2R)-5'-methoxy-2'-oxo-N-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185414
5'-methoxy-N-(4-methylphenyl)-2'-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839161
N-(4-chlorophenyl)-5'-methoxy-2'-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016637
5'-methoxy-3-(4-methoxybenzoyl)-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017071
(2R)-N-(3-chlorophenyl)-5'-methoxy-2'-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 98423686
(2R)-3-(3-chlorobenzoyl)-5'-methoxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 98423654
(2R)-3-(3-fluorobenzoyl)-5'-methoxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186815
(2R)-3-(2-fluorobenzoyl)-5'-methoxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186813
(2S)-3-(4-fluorobenzoyl)-5'-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187069

Frequently Asked Questions

What is the IUPAC name of 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 42839214) is 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is COc1ccc2c(c1)C1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is HPQYOJKKSULLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3S2/c1-32-17-7-8-19-18(13-17)23(29(9-11-34-23)21(30)20-6-3-10-33-20)22(31)28(19)14-15-4-2-5-16(12-15)24(25,26)27/h2-8,10,12-13H,9,11,14H2,1H3.
What are the key properties of 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 504.56 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 42839214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).