(2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C26H23ClN2O2S — CID 93186439

IUPAC(2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccccc1C)C(=O)N2Cc1ccccc1Cl
InChIInChI=1S/C26H23ClN2O2S/c1-17-11-12-23-21(15-17)26(25(31)28(23)16-19-8-4-6-10-22(19)27)29(13-14-32-26)24(30)20-9-5-3-7-18(20)2/h3-12,15H,13-14,16H2,1-2H3/t26-/m0/s1
InChIKeyKPNNREIHMJZZIU-SANMLTNESA-N
MW463.00 g/mol
LogP5.55
Rot. Bonds3

About (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93186439) has the molecular formula C26H23ClN2O2S and a molecular weight of 463.00 g/mol. Its IUPAC name is (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93186439
Molecular FormulaC26H23ClN2O2S
Molecular Weight463.00 g/mol
Exact Mass462.12
IUPAC Name(2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccccc1C)C(=O)N2Cc1ccccc1Cl
InChIInChI=1S/C26H23ClN2O2S/c1-17-11-12-23-21(15-17)26(25(31)28(23)16-19-8-4-6-10-22(19)27)29(13-14-32-26)24(30)20-9-5-3-7-18(20)2/h3-12,15H,13-14,16H2,1-2H3/t26-/m0/s1
InChIKeyKPNNREIHMJZZIU-SANMLTNESA-N
XLogP5.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.00
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-1'-[(2-chlorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016894
1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016903
1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016467
(2S)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187053
1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016977
1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017183
(2S)-3-(2-fluorobenzoyl)-5'-methyl-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186339
3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015256
(2S)-5'-methyl-3-(4-methylbenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186295
1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016983
(2S)-3-(cyclopropanecarbonyl)-1'-[(2-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186240
(2S)-1'-[(2-fluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186236

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93186439) is (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccccc1C)C(=O)N2Cc1ccccc1Cl.
What is the InChIKey of (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is KPNNREIHMJZZIU-SANMLTNESA-N. The full InChI is InChI=1S/C26H23ClN2O2S/c1-17-11-12-23-21(15-17)26(25(31)28(23)16-19-8-4-6-10-22(19)27)29(13-14-32-26)24(30)20-9-5-3-7-18(20)2/h3-12,15H,13-14,16H2,1-2H3/t26-/m0/s1.
What are the key properties of (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 463.00 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93186439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).