ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate

C19H16N2O4S — CID 2876784

IUPACethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C19H16N2O4S/c1-2-25-17(23)12-7-9-13(10-8-12)21-16(22)11-26-19(21)14-5-3-4-6-15(14)20-18(19)24/h3-10H,2,11H2,1H3,(H,20,24)
InChIKeyNEYXEKWNNJKINR-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.75
Rot. Bonds3

About ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate

ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate (PubChem CID 2876784) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate
PubChem CID2876784
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Nameethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C19H16N2O4S/c1-2-25-17(23)12-7-9-13(10-8-12)21-16(22)11-26-19(21)14-5-3-4-6-15(14)20-18(19)24/h3-10H,2,11H2,1H3,(H,20,24)
InChIKeyNEYXEKWNNJKINR-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate?
The IUPAC name of ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate (CID 2876784) is ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate?
The canonical SMILES for ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate is CCOC(=O)c1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate?
The InChIKey is NEYXEKWNNJKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-2-25-17(23)12-7-9-13(10-8-12)21-16(22)11-26-19(21)14-5-3-4-6-15(14)20-18(19)24/h3-10H,2,11H2,1H3,(H,20,24).
What are the key properties of ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate?
ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate has a molecular weight of 368.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoate is sourced from PubChem (CID 2876784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).