N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide

C21H15F3N4O4S2 — CID 88543973

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide
SMILESO=C(COc1ccnc2cc(C(F)(F)F)ccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H15F3N4O4S2/c22-21(23,24)13-1-6-16-17(11-13)25-8-7-18(16)32-12-19(29)27-14-2-4-15(5-3-14)34(30,31)28-20-26-9-10-33-20/h1-11H,12H2,(H,26,28)(H,27,29)
InChIKeyWNSGWTCNPPAWIW-UHFFFAOYSA-N
MW508.50 g/mol
LogP4.53
Rot. Bonds7

About N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide (PubChem CID 88543973) has the molecular formula C21H15F3N4O4S2 and a molecular weight of 508.50 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide
PubChem CID88543973
Molecular FormulaC21H15F3N4O4S2
Molecular Weight508.50 g/mol
Exact Mass508.05
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide
SMILESO=C(COc1ccnc2cc(C(F)(F)F)ccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H15F3N4O4S2/c22-21(23,24)13-1-6-16-17(11-13)25-8-7-18(16)32-12-19(29)27-14-2-4-15(5-3-14)34(30,31)28-20-26-9-10-33-20/h1-11H,12H2,(H,26,28)(H,27,29)
InChIKeyWNSGWTCNPPAWIW-UHFFFAOYSA-N
XLogP4.53
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide (CID 88543973) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide is O=C(COc1ccnc2cc(C(F)(F)F)ccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide?
The InChIKey is WNSGWTCNPPAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O4S2/c22-21(23,24)13-1-6-16-17(11-13)25-8-7-18(16)32-12-19(29)27-14-2-4-15(5-3-14)34(30,31)28-20-26-9-10-33-20/h1-11H,12H2,(H,26,28)(H,27,29).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide has a molecular weight of 508.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide is sourced from PubChem (CID 88543973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).