ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate

C13H13N3O5S2 — CID 2288058

IUPACethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate
SMILESCCOC(=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H13N3O5S2/c1-2-21-12(18)11(17)15-9-3-5-10(6-4-9)23(19,20)16-13-14-7-8-22-13/h3-8H,2H2,1H3,(H,14,16)(H,15,17)
InChIKeyBWQJENRYQTXIBF-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.45
Rot. Bonds5

About ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate

ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate (PubChem CID 2288058) has the molecular formula C13H13N3O5S2 and a molecular weight of 355.40 g/mol. Its IUPAC name is ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate
PubChem CID2288058
Molecular FormulaC13H13N3O5S2
Molecular Weight355.40 g/mol
Exact Mass355.03
IUPAC Nameethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate
SMILESCCOC(=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H13N3O5S2/c1-2-21-12(18)11(17)15-9-3-5-10(6-4-9)23(19,20)16-13-14-7-8-22-13/h3-8H,2H2,1H3,(H,14,16)(H,15,17)
InChIKeyBWQJENRYQTXIBF-UHFFFAOYSA-N
XLogP1.45
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate?
The IUPAC name of ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate (CID 2288058) is ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate is CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate?
The InChIKey is BWQJENRYQTXIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S2/c1-2-21-12(18)11(17)15-9-3-5-10(6-4-9)23(19,20)16-13-14-7-8-22-13/h3-8H,2H2,1H3,(H,14,16)(H,15,17).
What are the key properties of ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate?
ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate has a molecular weight of 355.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]acetate is sourced from PubChem (CID 2288058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).