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

C62H49ClF3N13O11S6 — CID 158261171

IUPAC2-(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
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cccc(C(F)(F)F)c2n1.Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cccc(Cl)c2n1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2cccnc2c1
InChIInChI=1S/C22H17F3N4O4S2.C21H17ClN4O4S2.C19H15N5O3S2/c1-13-11-18(16-3-2-4-17(20(16)27-13)22(23,24)25)33-12-19(30)28-14-5-7-15(8-6-14)35(31,32)29-21-26-9-10-34-21;1-13-11-18(16-3-2-4-17(22)20(16)24-13)30-12-19(27)25-14-5-7-15(8-6-14)32(28,29)26-21-23-9-10-31-21;25-18(23-15-4-3-13-2-1-9-20-17(13)12-15)22-14-5-7-16(8-6-14)29(26,27)24-19-21-10-11-28-19/h2-11H,12H2,1H3,(H,26,29)(H,28,30);2-11H,12H2,1H3,(H,23,26)(H,25,27);1-12H,(H,21,24)(H2,22,23,25)
InChIKeyGHWSRPVCZAUNHQ-UHFFFAOYSA-N
MW1437.00 g/mol
LogP13.44
Rot. Bonds19

About 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

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 (PubChem CID 158261171) has the molecular formula C62H49ClF3N13O11S6 and a molecular weight of 1437.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158261171
Molecular FormulaC62H49ClF3N13O11S6
Molecular Weight1437.00 g/mol
Exact Mass1435.16
IUPAC Name2-(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
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cccc(C(F)(F)F)c2n1.Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cccc(Cl)c2n1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2cccnc2c1
InChIInChI=1S/C22H17F3N4O4S2.C21H17ClN4O4S2.C19H15N5O3S2/c1-13-11-18(16-3-2-4-17(20(16)27-13)22(23,24)25)33-12-19(30)28-14-5-7-15(8-6-14)35(31,32)29-21-26-9-10-34-21;1-13-11-18(16-3-2-4-17(22)20(16)24-13)30-12-19(27)25-14-5-7-15(8-6-14)32(28,29)26-21-23-9-10-31-21;25-18(23-15-4-3-13-2-1-9-20-17(13)12-15)22-14-5-7-16(8-6-14)29(26,27)24-19-21-10-11-28-19/h2-11H,12H2,1H3,(H,26,29)(H,28,30);2-11H,12H2,1H3,(H,23,26)(H,25,27);1-12H,(H,21,24)(H2,22,23,25)
InChIKeyGHWSRPVCZAUNHQ-UHFFFAOYSA-N
XLogP13.44
TPSA333.64 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001437.00
LogP ≤ 513.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

2-(8-chloro-2-methylquinolin-4-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;2-[3-(cyanomethyl)indol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;2-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 157752225
3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[2-(4-fluoroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinamide;molecular hydrogen;hydrate
CID 158352152
4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(8-ethoxy-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide
CID 158626938
N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate
CID 159228493
4-[4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;bis(4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide)
CID 159554765
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
4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(8-ethoxy-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide
CID 159794047
4-[4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[2-oxo-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 160425695
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
2-(8-chloro-2-methylquinolin-4-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 57936393
4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-[2-(difluoromethoxy)anilino]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 157630560
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methylpyrimidin-4-yl)benzenesulfonamide;4-[(3S)-4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158115775

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cccc(C(F)(F)F)c2n1.Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cccc(Cl)c2n1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2cccnc2c1.
What is the InChIKey of 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?
The InChIKey is GHWSRPVCZAUNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O4S2.C21H17ClN4O4S2.C19H15N5O3S2/c1-13-11-18(16-3-2-4-17(20(16)27-13)22(23,24)25)33-12-19(30)28-14-5-7-15(8-6-14)35(31,32)29-21-26-9-10-34-21;1-13-11-18(16-3-2-4-17(22)20(16)24-13)30-12-19(27)25-14-5-7-15(8-6-14)32(28,29)26-21-23-9-10-31-21;25-18(23-15-4-3-13-2-1-9-20-17(13)12-15)22-14-5-7-16(8-6-14)29(26,27)24-19-21-10-11-28-19/h2-11H,12H2,1H3,(H,26,29)(H,28,30);2-11H,12H2,1H3,(H,23,26)(H,25,27);1-12H,(H,21,24)(H2,22,23,25).
What are the key properties of 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?
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 has a molecular weight of 1437.00 g/mol, XLogP of 13.44, 19 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158261171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).