2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide

C55H43F3N12O11S6 — CID 160667693

IUPAC2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12)C(F)(F)F
InChIInChI=1S/C21H18N4O4S2.C20H16N4O4S2.C14H9F3N4O3S2/c1-14(29-15-6-3-2-4-7-15)20(26)24-17-9-10-18(16-8-5-11-22-19(16)17)31(27,28)25-21-23-12-13-30-21;25-18(13-28-14-5-2-1-3-6-14)23-16-8-9-17(15-7-4-10-21-19(15)16)30(26,27)24-20-22-11-12-29-20;15-14(16,17)12(22)20-9-3-4-10(8-2-1-5-18-11(8)9)26(23,24)21-13-19-6-7-25-13/h2-14H,1H3,(H,23,25)(H,24,26);1-12H,13H2,(H,22,24)(H,23,25);1-7H,(H,19,21)(H,20,22)
InChIKeyRMNICMTYTRQOFK-UHFFFAOYSA-N
MW1297.42 g/mol
LogP10.40
Rot. Bonds18

About 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide

2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide (PubChem CID 160667693) has the molecular formula C55H43F3N12O11S6 and a molecular weight of 1297.42 g/mol. Its IUPAC name is 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
PubChem CID160667693
Molecular FormulaC55H43F3N12O11S6
Molecular Weight1297.42 g/mol
Exact Mass1296.15
IUPAC Name2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12)C(F)(F)F
InChIInChI=1S/C21H18N4O4S2.C20H16N4O4S2.C14H9F3N4O3S2/c1-14(29-15-6-3-2-4-7-15)20(26)24-17-9-10-18(16-8-5-11-22-19(16)17)31(27,28)25-21-23-12-13-30-21;25-18(13-28-14-5-2-1-3-6-14)23-16-8-9-17(15-7-4-10-21-19(15)16)30(26,27)24-20-22-11-12-29-20;15-14(16,17)12(22)20-9-3-4-10(8-2-1-5-18-11(8)9)26(23,24)21-13-19-6-7-25-13/h2-14H,1H3,(H,23,25)(H,24,26);1-12H,13H2,(H,22,24)(H,23,25);1-7H,(H,19,21)(H,20,22)
InChIKeyRMNICMTYTRQOFK-UHFFFAOYSA-N
XLogP10.40
TPSA321.61 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001297.42
LogP ≤ 510.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

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Related Compounds

2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide
CID 16051138
2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
CID 16051137
2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
CID 16051229
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxypropanamide
CID 88544253
2-(8-chloro-2-methylquinolin-4-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;2-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;1-quinolin-7-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
CID 158261171
3-chloro-4-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
CID 159700041
4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide
CID 159735504
2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
CID 160901906
2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
CID 161986468
2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide
CID 157827280
8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide
CID 159233782
2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen
CID 159402652

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide?
The IUPAC name of 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide (CID 160667693) is 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide?
The canonical SMILES for 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide is CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12)C(F)(F)F.
What is the InChIKey of 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide?
The InChIKey is RMNICMTYTRQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S2.C20H16N4O4S2.C14H9F3N4O3S2/c1-14(29-15-6-3-2-4-7-15)20(26)24-17-9-10-18(16-8-5-11-22-19(16)17)31(27,28)25-21-23-12-13-30-21;25-18(13-28-14-5-2-1-3-6-14)23-16-8-9-17(15-7-4-10-21-19(15)16)30(26,27)24-20-22-11-12-29-20;15-14(16,17)12(22)20-9-3-4-10(8-2-1-5-18-11(8)9)26(23,24)21-13-19-6-7-25-13/h2-14H,1H3,(H,23,25)(H,24,26);1-12H,13H2,(H,22,24)(H,23,25);1-7H,(H,19,21)(H,20,22).
What are the key properties of 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide?
2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide has a molecular weight of 1297.42 g/mol, XLogP of 10.40, 18 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide;2,2,2-trifluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide is sourced from PubChem (CID 160667693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).