2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide

C23H22ClN3O3S — CID 41434597

IUPAC2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide
SMILESO=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)NC1CCCC1
InChIInChI=1S/C23H22ClN3O3S/c24-15-9-11-17(12-10-15)27-21(29)14-31-23(27)18-7-3-4-8-19(18)26(22(23)30)13-20(28)25-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,25,28)/t23-/m1/s1
InChIKeyXGGYRPKVNIKHME-HSZRJFAPSA-N
MW455.97 g/mol
LogP3.68
Rot. Bonds4

About 2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide

2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide (PubChem CID 41434597) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide
PubChem CID41434597
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide
SMILESO=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)NC1CCCC1
InChIInChI=1S/C23H22ClN3O3S/c24-15-9-11-17(12-10-15)27-21(29)14-31-23(27)18-7-3-4-8-19(18)26(22(23)30)13-20(28)25-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,25,28)/t23-/m1/s1
InChIKeyXGGYRPKVNIKHME-HSZRJFAPSA-N
XLogP3.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 51608085
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434580
N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922395
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2,4-dimethylphenyl)acetamide
CID 51608099
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594
2-[3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 20922270
(2S)-3-(4-chlorophenyl)-1'-[(4-methylpiperidin-1-yl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26516671
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 92691950
2-[(2R)-3-(3-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 51608106
1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 4223491
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2-methoxyphenyl)acetamide
CID 92691954
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-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide (CID 41434597) is 2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide is O=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)NC1CCCC1.
What is the InChIKey of 2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide?
The InChIKey is XGGYRPKVNIKHME-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-15-9-11-17(12-10-15)27-21(29)14-31-23(27)18-7-3-4-8-19(18)26(22(23)30)13-20(28)25-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,25,28)/t23-/m1/s1.
What are the key properties of 2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide?
2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide has a molecular weight of 455.97 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 41434597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).