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

C80H69F2N19O12S8 — CID 159478188

About 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

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 (PubChem CID 159478188) has the molecular formula C80H69F2N19O12S8 and a molecular weight of 1783.08 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159478188
• Molecular Formula: C80H69F2N19O12S8
• Molecular Weight: 1783.08 g/mol
• Exact Mass: 1781.31
• IUPAC Name: 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
• SMILES: N#Cc1ccc2c(ccn2CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.O=C(CCN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(CCn1ccc2cc(F)c(F)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cnccc12
• InChI: InChI=1S/C21H17N5O3S2.C20H16F2N4O3S2.C20H21N5O3S2.C19H15N5O3S2/c22-14-15-1-6-19-16(13-15)7-10-26(19)11-8-20(27)24-17-2-4-18(5-3-17)31(28,29)25-21-23-9-12-30-21;21-16-11-13-5-8-26(18(13)12-17(16)22)9-6-19(27)24-14-1-3-15(4-2-14)31(28,29)25-20-23-7-10-30-20;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(23-17-3-1-2-13-12-20-9-8-16(13)17)22-14-4-6-15(7-5-14)29(26,27)24-19-21-10-11-28-19/h1-7,9-10,12-13H,8,11H2,(H,23,25)(H,24,27);1-5,7-8,10-12H,6,9H2,(H,23,25)(H,24,27);1-2,4,6-10,14H,3,5,11-13H2,(H,23,26)(H,21,22,24);1-12H,(H,21,24)(H2,22,23,25)
• InChIKey: LWQPTUCELQNZSB-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 427.34 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1783.08
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is N#Cc1ccc2c(ccn2CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.O=C(CCN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(CCn1ccc2cc(F)c(F)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2cnccc12.

What is the InChIKey of 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?

The InChIKey is LWQPTUCELQNZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3S2.C20H16F2N4O3S2.C20H21N5O3S2.C19H15N5O3S2/c22-14-15-1-6-19-16(13-15)7-10-26(19)11-8-20(27)24-17-2-4-18(5-3-17)31(28,29)25-21-23-9-12-30-21;21-16-11-13-5-8-26(18(13)12-17(16)22)9-6-19(27)24-14-1-3-15(4-2-14)31(28,29)25-20-23-7-10-30-20;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(23-17-3-1-2-13-12-20-9-8-16(13)17)22-14-4-6-15(7-5-14)29(26,27)24-19-21-10-11-28-19/h1-7,9-10,12-13H,8,11H2,(H,23,25)(H,24,27);1-5,7-8,10-12H,6,9H2,(H,23,25)(H,24,27);1-2,4,6-10,14H,3,5,11-13H2,(H,23,26)(H,21,22,24);1-12H,(H,21,24)(H2,22,23,25).

What are the key properties of 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?

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 has a molecular weight of 1783.08 g/mol, XLogP of 15.26, 26 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159478188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).