(2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C23H26N2O2S — CID 93181022

IUPAC(2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCC(=O)N1CC(C)(C)S[C@@]12C(=O)N(Cc1ccccc1C)c1ccccc12
InChIInChI=1S/C23H26N2O2S/c1-5-20(26)25-15-22(3,4)28-23(25)18-12-8-9-13-19(18)24(21(23)27)14-17-11-7-6-10-16(17)2/h6-13H,5,14-15H2,1-4H3/t23-/m0/s1
InChIKeyNUGOGUOQXWIECB-QHCPKHFHSA-N
MW394.54 g/mol
LogP4.46
Rot. Bonds3

About (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93181022) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93181022
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name(2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCC(=O)N1CC(C)(C)S[C@@]12C(=O)N(Cc1ccccc1C)c1ccccc12
InChIInChI=1S/C23H26N2O2S/c1-5-20(26)25-15-22(3,4)28-23(25)18-12-8-9-13-19(18)24(21(23)27)14-17-11-7-6-10-16(17)2/h6-13H,5,14-15H2,1-4H3/t23-/m0/s1
InChIKeyNUGOGUOQXWIECB-QHCPKHFHSA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015175
3-(4-fluorobenzoyl)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015312
(2S)-5,5-dimethyl-N-(4-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180444
(2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93181964
(2R)-3-(2-fluorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180917
(2S)-1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181752
1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015612
1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015155
3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015256
1'-benzyl-3-(4-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015298
1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015290
1'-benzyl-5,5-dimethyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015157

Frequently Asked Questions

What is the IUPAC name of (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93181022) is (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is CCC(=O)N1CC(C)(C)S[C@@]12C(=O)N(Cc1ccccc1C)c1ccccc12.
What is the InChIKey of (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is NUGOGUOQXWIECB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-5-20(26)25-15-22(3,4)28-23(25)18-12-8-9-13-19(18)24(21(23)27)14-17-11-7-6-10-16(17)2/h6-13H,5,14-15H2,1-4H3/t23-/m0/s1.
What are the key properties of (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 394.54 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93181022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).