(2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C22H22N2O3S — CID 42582916

IUPAC(2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCCCc1ccc(N2C(=O)CS[C@]23C(=O)N(C(C)=O)c2ccccc23)cc1
InChIInChI=1S/C22H22N2O3S/c1-3-4-7-16-10-12-17(13-11-16)24-20(26)14-28-22(24)18-8-5-6-9-19(18)23(15(2)25)21(22)27/h5-6,8-13H,3-4,7,14H2,1-2H3/t22-/m1/s1
InChIKeyPJCRIBJUSQPDDS-JOCHJYFZSA-N
MW394.50 g/mol
LogP3.86
Rot. Bonds4

About (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 42582916) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID42582916
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name(2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCCCc1ccc(N2C(=O)CS[C@]23C(=O)N(C(C)=O)c2ccccc23)cc1
InChIInChI=1S/C22H22N2O3S/c1-3-4-7-16-10-12-17(13-11-16)24-20(26)14-28-22(24)18-8-5-6-9-19(18)23(15(2)25)21(22)27/h5-6,8-13H,3-4,7,14H2,1-2H3/t22-/m1/s1
InChIKeyPJCRIBJUSQPDDS-JOCHJYFZSA-N
XLogP3.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-acetyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750665
(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42554574
1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 16765542
2-[3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 20922270
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434580
(2S)-1'-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 40660267
3-(4-ethylphenyl)-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17380283
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 7245556
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 92691950
2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
CID 20922333
2-[(2S)-3-(3-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434583

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 42582916) is (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is CCCCc1ccc(N2C(=O)CS[C@]23C(=O)N(C(C)=O)c2ccccc23)cc1.
What is the InChIKey of (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is PJCRIBJUSQPDDS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-3-4-7-16-10-12-17(13-11-16)24-20(26)14-28-22(24)18-8-5-6-9-19(18)23(15(2)25)21(22)27/h5-6,8-13H,3-4,7,14H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 394.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 42582916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).