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

C22H17F3N4O4S2 — CID 88544253

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide
SMILESCC(Oc1ccnc2c(C(F)(F)F)cccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H17F3N4O4S2/c1-13(33-18-9-10-26-19-16(18)3-2-4-17(19)22(23,24)25)20(30)28-14-5-7-15(8-6-14)35(31,32)29-21-27-11-12-34-21/h2-13H,1H3,(H,27,29)(H,28,30)
InChIKeyBVSNSDLCEVFCSP-UHFFFAOYSA-N
MW522.53 g/mol
LogP4.92
Rot. Bonds7

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

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide (PubChem CID 88544253) has the molecular formula C22H17F3N4O4S2 and a molecular weight of 522.53 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide
PubChem CID88544253
Molecular FormulaC22H17F3N4O4S2
Molecular Weight522.53 g/mol
Exact Mass522.06
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide
SMILESCC(Oc1ccnc2c(C(F)(F)F)cccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H17F3N4O4S2/c1-13(33-18-9-10-26-19-16(18)3-2-4-17(19)22(23,24)25)20(30)28-14-5-7-15(8-6-14)35(31,32)29-21-27-11-12-34-21/h2-13H,1H3,(H,27,29)(H,28,30)
InChIKeyBVSNSDLCEVFCSP-UHFFFAOYSA-N
XLogP4.92
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.53
LogP ≤ 54.92
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-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide (CID 88544253) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide is CC(Oc1ccnc2c(C(F)(F)F)cccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide?
The InChIKey is BVSNSDLCEVFCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O4S2/c1-13(33-18-9-10-26-19-16(18)3-2-4-17(19)22(23,24)25)20(30)28-14-5-7-15(8-6-14)35(31,32)29-21-27-11-12-34-21/h2-13H,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide has a molecular weight of 522.53 g/mol, XLogP of 4.92, 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-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide is sourced from PubChem (CID 88544253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).