1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea

C79H66N20O12S8 — CID 162004261

IUPAC1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cccnc12.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cnccc12
InChIInChI=1S/C21H15N5O3S2.C20H21N5O3S2.2C19H15N5O3S2/c22-13-14-5-10-19(18-4-2-1-3-17(14)18)25-20(27)24-15-6-8-16(9-7-15)31(28,29)26-21-23-11-12-30-21;26-19(11-13-25-12-3-5-15-4-1-2-6-18(15)25)23-16-7-9-17(10-8-16)30(27,28)24-20-21-14-22-29-20;25-18(23-16-5-1-3-13-4-2-10-20-17(13)16)22-14-6-8-15(9-7-14)29(26,27)24-19-21-11-12-28-19;25-18(23-17-3-1-2-13-12-20-9-8-16(13)17)22-14-4-6-15(7-5-14)29(26,27)24-19-21-10-11-28-19/h1-12H,(H,23,26)(H2,24,25,27);1-2,4,6-10,14H,3,5,11-13H2,(H,23,26)(H,21,22,24);2*1-12H,(H,21,24)(H2,22,23,25)
InChIKeyYSPQUOVSPUXEAQ-UHFFFAOYSA-N
MW1744.06 g/mol
LogP16.01
Rot. Bonds22

About 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea

1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea (PubChem CID 162004261) has the molecular formula C79H66N20O12S8 and a molecular weight of 1744.06 g/mol. Its IUPAC name is 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
PubChem CID162004261
Molecular FormulaC79H66N20O12S8
Molecular Weight1744.06 g/mol
Exact Mass1742.29
IUPAC Name1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cccnc12.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cnccc12
InChIInChI=1S/C21H15N5O3S2.C20H21N5O3S2.2C19H15N5O3S2/c22-13-14-5-10-19(18-4-2-1-3-17(14)18)25-20(27)24-15-6-8-16(9-7-15)31(28,29)26-21-23-11-12-30-21;26-19(11-13-25-12-3-5-15-4-1-2-6-18(15)25)23-16-7-9-17(10-8-16)30(27,28)24-20-21-14-22-29-20;25-18(23-16-5-1-3-13-4-2-10-20-17(13)16)22-14-6-8-15(9-7-14)29(26,27)24-19-21-11-12-28-19;25-18(23-17-3-1-2-13-12-20-9-8-16(13)17)22-14-4-6-15(7-5-14)29(26,27)24-19-21-10-11-28-19/h1-12H,(H,23,26)(H2,24,25,27);1-2,4,6-10,14H,3,5,11-13H2,(H,23,26)(H,21,22,24);2*1-12H,(H,21,24)(H2,22,23,25)
InChIKeyYSPQUOVSPUXEAQ-UHFFFAOYSA-N
XLogP16.01
TPSA454.43 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.06
LogP ≤ 516.01
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea with MolForge

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Related Compounds

3-(6-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-6-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
CID 159276923
3-(5-cyanoindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5,6-difluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
CID 159478188
4-[4-[2-(3-cyanoindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160061887
3-(2,3-dihydroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;2-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-fluoro-2-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(3-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 162111562

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea?
The IUPAC name of 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea (CID 162004261) is 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea is N#Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cccnc12.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cnccc12.
What is the InChIKey of 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea?
The InChIKey is YSPQUOVSPUXEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3S2.C20H21N5O3S2.2C19H15N5O3S2/c22-13-14-5-10-19(18-4-2-1-3-17(14)18)25-20(27)24-15-6-8-16(9-7-15)31(28,29)26-21-23-11-12-30-21;26-19(11-13-25-12-3-5-15-4-1-2-6-18(15)25)23-16-7-9-17(10-8-16)30(27,28)24-20-21-14-22-29-20;25-18(23-16-5-1-3-13-4-2-10-20-17(13)16)22-14-6-8-15(9-7-14)29(26,27)24-19-21-11-12-28-19;25-18(23-17-3-1-2-13-12-20-9-8-16(13)17)22-14-4-6-15(7-5-14)29(26,27)24-19-21-10-11-28-19/h1-12H,(H,23,26)(H2,24,25,27);1-2,4,6-10,14H,3,5,11-13H2,(H,23,26)(H,21,22,24);2*1-12H,(H,21,24)(H2,22,23,25).
What are the key properties of 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea?
1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea has a molecular weight of 1744.06 g/mol, XLogP of 16.01, 22 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanonaphthalen-1-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;1-isoquinolin-5-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;1-quinolin-8-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea is sourced from PubChem (CID 162004261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).