(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C26H24N2O4S — CID 93186213

IUPAC(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1cccc(CN2C(=O)[C@@]3(SCCN3C(=O)c3cccc(OC)c3)c3ccccc32)c1
InChIInChI=1S/C26H24N2O4S/c1-31-20-9-5-7-18(15-20)17-27-23-12-4-3-11-22(23)26(25(27)30)28(13-14-33-26)24(29)19-8-6-10-21(16-19)32-2/h3-12,15-16H,13-14,17H2,1-2H3/t26-/m0/s1
InChIKeyPNSZLTVLPMDPCF-SANMLTNESA-N
MW460.56 g/mol
LogP4.29
Rot. Bonds5

About (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93186213) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93186213
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1cccc(CN2C(=O)[C@@]3(SCCN3C(=O)c3cccc(OC)c3)c3ccccc32)c1
InChIInChI=1S/C26H24N2O4S/c1-31-20-9-5-7-18(15-20)17-27-23-12-4-3-11-22(23)26(25(27)30)28(13-14-33-26)24(29)19-8-6-10-21(16-19)32-2/h3-12,15-16H,13-14,17H2,1-2H3/t26-/m0/s1
InChIKeyPNSZLTVLPMDPCF-SANMLTNESA-N
XLogP4.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)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-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180777
1'-benzyl-5'-chloro-3-(3-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015597
1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016829
3-[[(2R)-5'-methoxy-3-(3-methoxybenzoyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187574
3-[[(2S)-5'-methoxy-3-(3-methoxybenzoyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187575
(2S)-3-(4-fluorobenzoyl)-5'-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187069
(2R)-1'-benzyl-3-(3-chlorobenzoyl)-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181720
5'-chloro-3-(4-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017058
1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017343
(2R)-3-(4-chlorobenzoyl)-1'-[(3-methoxyphenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186464
(2R)-1'-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180632
(2S)-N-(3-methoxyphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184627

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93186213) is (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is COc1cccc(CN2C(=O)[C@@]3(SCCN3C(=O)c3cccc(OC)c3)c3ccccc32)c1.
What is the InChIKey of (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is PNSZLTVLPMDPCF-SANMLTNESA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-31-20-9-5-7-18(15-20)17-27-23-12-4-3-11-22(23)26(25(27)30)28(13-14-33-26)24(29)19-8-6-10-21(16-19)32-2/h3-12,15-16H,13-14,17H2,1-2H3/t26-/m0/s1.
What are the key properties of (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 460.56 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93186213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).