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

C19H25N3O5S3 — CID 42903181

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

ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 42903181) has the molecular formula C19H25N3O5S3 and a molecular weight of 471.63 g/mol. Its IUPAC name is ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
• PubChem CID: 42903181
• Molecular Formula: C19H25N3O5S3
• Molecular Weight: 471.63 g/mol
• Exact Mass: 471.10
• IUPAC Name: ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
• SMILES: CCOC(=O)Cc1csc(SC(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1
• InChI: InChI=1S/C19H25N3O5S3/c1-5-27-17(23)10-15-11-28-19(21-15)29-13(4)18(24)20-14-6-8-16(9-7-14)30(25,26)22-12(2)3/h6-9,11-13,22H,5,10H2,1-4H3,(H,20,24)
• InChIKey: PTGQRCKUPBQUMT-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 114.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.63
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?

The IUPAC name of ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 42903181) is ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?

The canonical SMILES for ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SC(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1.

What is the InChIKey of ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?

The InChIKey is PTGQRCKUPBQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S3/c1-5-27-17(23)10-15-11-28-19(21-15)29-13(4)18(24)20-14-6-8-16(9-7-14)30(25,26)22-12(2)3/h6-9,11-13,22H,5,10H2,1-4H3,(H,20,24).

What are the key properties of ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?

ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 471.63 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 42903181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).