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

C25H21N3O3S — CID 92691950

IUPAC2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H21N3O3S/c1-17-11-13-18(14-12-17)26-22(29)15-27-21-10-6-5-9-20(21)25(24(27)31)28(23(30)16-32-25)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,29)/t25-/m0/s1
InChIKeyCDVSFCQVBUMQPG-VWLOTQADSA-N
MW443.53 g/mol
LogP3.91
Rot. Bonds4

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

2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide (PubChem CID 92691950) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
PubChem CID92691950
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC Name2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H21N3O3S/c1-17-11-13-18(14-12-17)26-22(29)15-27-21-10-6-5-9-20(21)25(24(27)31)28(23(30)16-32-25)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,29)/t25-/m0/s1
InChIKeyCDVSFCQVBUMQPG-VWLOTQADSA-N
XLogP3.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[(2R)-3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692039
N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691956
N-(2,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691974
2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
CID 20922333
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-dimethoxyphenyl)-2-[(2R)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691979
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-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
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434580
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692090
N-(2-ethyl-6-methylphenyl)-2-[(2R)-3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692053

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide (CID 92691950) is 2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is CDVSFCQVBUMQPG-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-17-11-13-18(14-12-17)26-22(29)15-27-21-10-6-5-9-20(21)25(24(27)31)28(23(30)16-32-25)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,29)/t25-/m0/s1.
What are the key properties of 2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide?
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 92691950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).