N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide

C27H19F3N4O4S2 — CID 16665835

About N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide

N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide (PubChem CID 16665835) has the molecular formula C27H19F3N4O4S2 and a molecular weight of 584.60 g/mol. Its IUPAC name is N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide
• PubChem CID: 16665835
• Molecular Formula: C27H19F3N4O4S2
• Molecular Weight: 584.60 g/mol
• Exact Mass: 584.08
• IUPAC Name: N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide
• SMILES: O=C(COc1ccnc2c(C(F)(F)F)cccc12)Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
• InChI: InChI=1S/C27H19F3N4O4S2/c28-27(29,30)22-3-1-2-21-23(12-13-31-25(21)22)38-16-24(35)33-19-8-4-17(5-9-19)18-6-10-20(11-7-18)40(36,37)34-26-32-14-15-39-26/h1-15H,16H2,(H,32,34)(H,33,35)
• InChIKey: GQVMVXSVPTYEQF-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 110.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.60
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide?

The IUPAC name of N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide (CID 16665835) is N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide.

What is the SMILES notation for N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide?

The canonical SMILES for N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide is O=C(COc1ccnc2c(C(F)(F)F)cccc12)Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.

What is the InChIKey of N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide?

The InChIKey is GQVMVXSVPTYEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O4S2/c28-27(29,30)22-3-1-2-21-23(12-13-31-25(21)22)38-16-24(35)33-19-8-4-17(5-9-19)18-6-10-20(11-7-18)40(36,37)34-26-32-14-15-39-26/h1-15H,16H2,(H,32,34)(H,33,35).

What are the key properties of N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide?

N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide has a molecular weight of 584.60 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide is sourced from PubChem (CID 16665835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).