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

C78H61ClN20O12S8 — CID 159276923

IUPAC3-(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
SMILESN#Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2ncccc2c1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C21H15N5O3S2.C19H16ClN5O3S2.2C19H15N5O3S2/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;20-14-2-1-13-7-9-25(17(13)11-14)10-8-18(26)23-15-3-5-16(6-4-15)30(27,28)24-19-21-12-22-29-19;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(23-15-5-8-17-13(12-15)2-1-9-20-17)22-14-3-6-16(7-4-14)29(26,27)24-19-21-10-11-28-19/h1-12H,(H,23,26)(H2,24,25,27);1-7,9,11-12H,8,10H2,(H,23,26)(H,21,22,24);2*1-12H,(H,21,24)(H2,22,23,25)
InChIKeyKYKRYUOPOKHILB-UHFFFAOYSA-N
MW1762.46 g/mol
LogP16.86
Rot. Bonds22

About 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

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 (PubChem CID 159276923) has the molecular formula C78H61ClN20O12S8 and a molecular weight of 1762.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159276923
Molecular FormulaC78H61ClN20O12S8
Molecular Weight1762.46 g/mol
Exact Mass1760.22
IUPAC Name3-(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
SMILESN#Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2ncccc2c1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C21H15N5O3S2.C19H16ClN5O3S2.2C19H15N5O3S2/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;20-14-2-1-13-7-9-25(17(13)11-14)10-8-18(26)23-15-3-5-16(6-4-15)30(27,28)24-19-21-12-22-29-19;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(23-15-5-8-17-13(12-15)2-1-9-20-17)22-14-3-6-16(7-4-14)29(26,27)24-19-21-10-11-28-19/h1-12H,(H,23,26)(H2,24,25,27);1-7,9,11-12H,8,10H2,(H,23,26)(H,21,22,24);2*1-12H,(H,21,24)(H2,22,23,25)
InChIKeyKYKRYUOPOKHILB-UHFFFAOYSA-N
XLogP16.86
TPSA456.12 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001762.46
LogP ≤ 516.86
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

3-(6-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;3-(2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;1-quinolin-6-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide
CID 158900036
3-(5-cyanoindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5,6-dichloroindol-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
CID 157626846
2-(5-chloro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;2-(7-chloroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;2-(3-cyanoindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;2-(5-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 157915229
2-(6-chloroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;2-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;2-indol-1-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;2-(5-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 158960195
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-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161226751
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2ncccc2c1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cccnc12.
What is the InChIKey of 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?
The InChIKey is KYKRYUOPOKHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3S2.C19H16ClN5O3S2.2C19H15N5O3S2/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;20-14-2-1-13-7-9-25(17(13)11-14)10-8-18(26)23-15-3-5-16(6-4-15)30(27,28)24-19-21-12-22-29-19;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(23-15-5-8-17-13(12-15)2-1-9-20-17)22-14-3-6-16(7-4-14)29(26,27)24-19-21-10-11-28-19/h1-12H,(H,23,26)(H2,24,25,27);1-7,9,11-12H,8,10H2,(H,23,26)(H,21,22,24);2*1-12H,(H,21,24)(H2,22,23,25).
What are the key properties of 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?
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 has a molecular weight of 1762.46 g/mol, XLogP of 16.86, 22 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159276923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).