N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

C26H23N3O3S — CID 92691956

IUPACN-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc1C
InChIInChI=1S/C26H23N3O3S/c1-17-12-13-19(14-18(17)2)27-23(30)15-28-22-11-7-6-10-21(22)26(25(28)32)29(24(31)16-33-26)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,27,30)/t26-/m0/s1
InChIKeyQIQNYSJXAYGBLW-SANMLTNESA-N
MW457.56 g/mol
LogP4.22
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (PubChem CID 92691956) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
PubChem CID92691956
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc1C
InChIInChI=1S/C26H23N3O3S/c1-17-12-13-19(14-18(17)2)27-23(30)15-28-22-11-7-6-10-21(22)26(25(28)32)29(24(31)16-33-26)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,27,30)/t26-/m0/s1
InChIKeyQIQNYSJXAYGBLW-SANMLTNESA-N
XLogP4.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922352
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 92691950
N-(3,5-dimethoxyphenyl)-2-[(2R)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691979
N-(2,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691974
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
2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
CID 20922333
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2-methoxyphenyl)acetamide
CID 92691954
N-(4-methoxyphenyl)-2-[(2R)-3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692039
N-(2,5-dimethylphenyl)-2-[(2R)-3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608040
N-(2,4-difluorophenyl)-2-[(2R)-3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608204
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 N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (CID 92691956) is N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The InChIKey is QIQNYSJXAYGBLW-SANMLTNESA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-17-12-13-19(14-18(17)2)27-23(30)15-28-22-11-7-6-10-21(22)26(25(28)32)29(24(31)16-33-26)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,27,30)/t26-/m0/s1.
What are the key properties of N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide has a molecular weight of 457.56 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 92691956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).