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

C80H77FN18O12S8 — CID 162111562

About 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

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 (PubChem CID 162111562) has the molecular formula C80H77FN18O12S8 and a molecular weight of 1758.14 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162111562
• Molecular Formula: C80H77FN18O12S8
• Molecular Weight: 1758.14 g/mol
• Exact Mass: 1756.37
• IUPAC Name: 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
• SMILES: Cc1cc2cc(F)ccc2n1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.Cc1cn(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCN1CCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(CN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1
• InChI: InChI=1S/C21H19FN4O3S2.C21H20N4O3S2.2C19H19N5O3S2/c1-14-12-15-13-16(22)2-7-19(15)26(14)10-8-20(27)24-17-3-5-18(6-4-17)31(28,29)25-21-23-9-11-30-21;1-15-14-25(19-5-3-2-4-18(15)19)12-10-20(26)23-16-6-8-17(9-7-16)30(27,28)24-21-22-11-13-29-21;25-18(12-24-11-3-5-14-4-1-2-6-17(14)24)22-15-7-9-16(10-8-15)29(26,27)23-19-20-13-21-28-19;25-18(10-12-24-11-9-14-3-1-2-4-17(14)24)22-15-5-7-16(8-6-15)29(26,27)23-19-20-13-21-28-19/h2-7,9,11-13H,8,10H2,1H3,(H,23,25)(H,24,27);2-9,11,13-14H,10,12H2,1H3,(H,22,24)(H,23,26);1-2,4,6-10,13H,3,5,11-12H2,(H,22,25)(H,20,21,23);1-8,13H,9-12H2,(H,22,25)(H,20,21,23)
• InChIKey: ZGFHWXASMCMSDH-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 394.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1758.14
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc2cc(F)ccc2n1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.Cc1cn(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCN1CCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(CN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.

What is the InChIKey of 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?

The InChIKey is ZGFHWXASMCMSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S2.C21H20N4O3S2.2C19H19N5O3S2/c1-14-12-15-13-16(22)2-7-19(15)26(14)10-8-20(27)24-17-3-5-18(6-4-17)31(28,29)25-21-23-9-11-30-21;1-15-14-25(19-5-3-2-4-18(15)19)12-10-20(26)23-16-6-8-17(9-7-16)30(27,28)24-21-22-11-13-29-21;25-18(12-24-11-3-5-14-4-1-2-6-17(14)24)22-15-7-9-16(10-8-15)29(26,27)23-19-20-13-21-28-19;25-18(10-12-24-11-9-14-3-1-2-4-17(14)24)22-15-5-7-16(8-6-15)29(26,27)23-19-20-13-21-28-19/h2-7,9,11-13H,8,10H2,1H3,(H,23,25)(H,24,27);2-9,11,13-14H,10,12H2,1H3,(H,22,24)(H,23,26);1-2,4,6-10,13H,3,5,11-12H2,(H,22,25)(H,20,21,23);1-8,13H,9-12H2,(H,22,25)(H,20,21,23).

What are the key properties of 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?

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 has a molecular weight of 1758.14 g/mol, XLogP of 14.07, 27 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162111562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).