2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C23H28N4O5S2 — CID 100800918

About 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide

2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 100800918) has the molecular formula C23H28N4O5S2 and a molecular weight of 504.63 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
• PubChem CID: 100800918
• Molecular Formula: C23H28N4O5S2
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.15
• IUPAC Name: 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)cc1
• InChI: InChI=1S/C23H28N4O5S2/c1-5-27(6-2)34(29,30)18-10-8-17(9-11-18)32-14-22(28)25-19-13-16(7-12-21(19)31-4)20-15-33-23(24-3)26-20/h7-13,15H,5-6,14H2,1-4H3,(H,24,26)(H,25,28)
• InChIKey: VJTBHNYJIAPTFO-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?

The IUPAC name of 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 100800918) is 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

What is the SMILES notation for 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?

The canonical SMILES for 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)cc1.

What is the InChIKey of 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?

The InChIKey is VJTBHNYJIAPTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S2/c1-5-27(6-2)34(29,30)18-10-8-17(9-11-18)32-14-22(28)25-19-13-16(7-12-21(19)31-4)20-15-33-23(24-3)26-20/h7-13,15H,5-6,14H2,1-4H3,(H,24,26)(H,25,28).

What are the key properties of 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?

2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 504.63 g/mol, XLogP of 3.91, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 100800918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).