2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

C19H17N3O3S — CID 20922252

IUPAC2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1cccc(N2C(=O)CSC23C(=O)N(CC(N)=O)c2ccccc23)c1
InChIInChI=1S/C19H17N3O3S/c1-12-5-4-6-13(9-12)22-17(24)11-26-19(22)14-7-2-3-8-15(14)21(18(19)25)10-16(20)23/h2-9H,10-11H2,1H3,(H2,20,23)
InChIKeySBJHLSGHSHBGAF-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.76
Rot. Bonds3

About 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (PubChem CID 20922252) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
PubChem CID20922252
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1cccc(N2C(=O)CSC23C(=O)N(CC(N)=O)c2ccccc23)c1
InChIInChI=1S/C19H17N3O3S/c1-12-5-4-6-13(9-12)22-17(24)11-26-19(22)14-7-2-3-8-15(14)21(18(19)25)10-16(20)23/h2-9H,10-11H2,1H3,(H2,20,23)
InChIKeySBJHLSGHSHBGAF-UHFFFAOYSA-N
XLogP1.76
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(2S)-3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692126
N-(3,5-dimethylphenyl)-2-[(2R)-3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692127
N-(2,5-dimethylphenyl)-2-[(2R)-3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608040
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 7245556
N-(2,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691974
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 92691950
3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922117
2-[3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 20922270
N-(3,4-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922352
N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691956
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2,4-dimethylphenyl)acetamide
CID 51608099
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 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The IUPAC name of 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (CID 20922252) is 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The canonical SMILES for 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is Cc1cccc(N2C(=O)CSC23C(=O)N(CC(N)=O)c2ccccc23)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The InChIKey is SBJHLSGHSHBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-5-4-6-13(9-12)22-17(24)11-26-19(22)14-7-2-3-8-15(14)21(18(19)25)10-16(20)23/h2-9H,10-11H2,1H3,(H2,20,23).
What are the key properties of 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 20922252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).