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

C26H24N2O3S — CID 93180777

IUPAC(2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1cccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2C)c2ccccc23)c1
InChIInChI=1S/C26H24N2O3S/c1-18-8-3-4-9-20(18)17-27-23-13-6-5-12-22(23)26(25(27)30)28(14-15-32-26)24(29)19-10-7-11-21(16-19)31-2/h3-13,16H,14-15,17H2,1-2H3/t26-/m1/s1
InChIKeyXQDXLKXWLPJJOO-AREMUKBSSA-N
MW444.56 g/mol
LogP4.59
Rot. Bonds4

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

(2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93180777) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is (2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93180777
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name(2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1cccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2C)c2ccccc23)c1
InChIInChI=1S/C26H24N2O3S/c1-18-8-3-4-9-20(18)17-27-23-13-6-5-12-22(23)26(25(27)30)28(14-15-32-26)24(29)19-10-7-11-21(16-19)31-2/h3-13,16H,14-15,17H2,1-2H3/t26-/m1/s1
InChIKeyXQDXLKXWLPJJOO-AREMUKBSSA-N
XLogP4.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186213
1'-benzyl-5'-chloro-3-(3-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015597
3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015256
(2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180742
(2S)-5'-methoxy-N-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185242
(2S)-N-benzyl-5'-methoxy-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185272
1'-[(2-fluorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017090
1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017183
(2S)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187053
(2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185234
5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016591
(2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185259

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93180777) is (2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is COc1cccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2C)c2ccccc23)c1.
What is the InChIKey of (2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is XQDXLKXWLPJJOO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-18-8-3-4-9-20(18)17-27-23-13-6-5-12-22(23)26(25(27)30)28(14-15-32-26)24(29)19-10-7-11-21(16-19)31-2/h3-13,16H,14-15,17H2,1-2H3/t26-/m1/s1.
What are the key properties of (2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 444.56 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93180777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).