2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide

C26H22ClN3O3S — CID 41434580

IUPAC2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(Cl)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H22ClN3O3S/c1-2-17-7-11-19(12-8-17)28-23(31)15-29-22-6-4-3-5-21(22)26(25(29)33)30(24(32)16-34-26)20-13-9-18(27)10-14-20/h3-14H,2,15-16H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyLUORSNUFOWJFPO-SANMLTNESA-N
MW492.00 g/mol
LogP4.82
Rot. Bonds5

About 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide

2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 41434580) has the molecular formula C26H22ClN3O3S and a molecular weight of 492.00 g/mol. Its IUPAC name is 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
PubChem CID41434580
Molecular FormulaC26H22ClN3O3S
Molecular Weight492.00 g/mol
Exact Mass491.11
IUPAC Name2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(Cl)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H22ClN3O3S/c1-2-17-7-11-19(12-8-17)28-23(31)15-29-22-6-4-3-5-21(22)26(25(29)33)30(24(32)16-34-26)20-13-9-18(27)10-14-20/h3-14H,2,15-16H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyLUORSNUFOWJFPO-SANMLTNESA-N
XLogP4.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-3-(3-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434583
2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
CID 20922333
N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922395
N-(4-chlorophenyl)-2-[3-(3-methoxyphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922384
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 92691950
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2,4-dimethylphenyl)acetamide
CID 51608099
N-(4-methoxyphenyl)-2-[(2R)-3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692039
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692090
N-(4-fluorophenyl)-2-[(2R)-3-(4-methoxyphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608180
2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 51608192
2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide
CID 41434597
N-(3,4-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922352

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide (CID 41434580) is 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(Cl)cc3)c3ccccc32)cc1.
What is the InChIKey of 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is LUORSNUFOWJFPO-SANMLTNESA-N. The full InChI is InChI=1S/C26H22ClN3O3S/c1-2-17-7-11-19(12-8-17)28-23(31)15-29-22-6-4-3-5-21(22)26(25(29)33)30(24(32)16-34-26)20-13-9-18(27)10-14-20/h3-14H,2,15-16H2,1H3,(H,28,31)/t26-/m0/s1.
What are the key properties of 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide?
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 492.00 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 41434580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).