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
C79H68ClF3N18O12S8 — CID 158900036
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-(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
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2ccc(C(F)(F)F)cc21.O=C(CCN1CCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2ncccc2c1
InChIInChI=1S/C21H17F3N4O3S2.C20H20N4O3S2.C19H16ClN5O3S2.C19H15N5O3S2/c1-13(28-10-8-14-2-3-15(12-18(14)28)21(22,23)24)19(29)26-16-4-6-17(7-5-16)33(30,31)27-20-25-9-11-32-20;25-19(10-13-24-12-9-15-3-1-2-4-18(15)24)22-16-5-7-17(8-6-16)29(26,27)23-20-21-11-14-28-20;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(23-15-5-8-17-13(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/h2-13H,1H3,(H,25,27)(H,26,29);1-8,11,14H,9-10,12-13H2,(H,21,23)(H,22,25);1-7,9,11-12H,8,10H2,(H,23,26)(H,21,22,24);1-12H,(H,21,24)(H2,22,23,25)
InChIKeyJFHXLHMZWIVJFV-UHFFFAOYSA-N
MW1810.51 g/mol
LogP16.56
Rot. Bonds25
About 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
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 (PubChem CID 158900036) has the molecular formula C79H68ClF3N18O12S8 and a molecular weight of 1810.51 g/mol. Its IUPAC name is 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.
Molecular Properties
| Compound Name | 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 |
|---|---|
| PubChem CID | 158900036 |
| Molecular Formula | C79H68ClF3N18O12S8 |
| Molecular Weight | 1810.51 g/mol |
| Exact Mass | 1808.27 |
| IUPAC Name | 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 |
| SMILES | CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2ccc(C(F)(F)F)cc21.O=C(CCN1CCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2ncccc2c1 |
| InChI | InChI=1S/C21H17F3N4O3S2.C20H20N4O3S2.C19H16ClN5O3S2.C19H15N5O3S2/c1-13(28-10-8-14-2-3-15(12-18(14)28)21(22,23)24)19(29)26-16-4-6-17(7-5-16)33(30,31)27-20-25-9-11-32-20;25-19(10-13-24-12-9-15-3-1-2-4-18(15)24)22-16-5-7-17(8-6-16)29(26,27)23-20-21-11-14-28-20;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(23-15-5-8-17-13(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/h2-13H,1H3,(H,25,27)(H,26,29);1-8,11,14H,9-10,12-13H2,(H,21,23)(H,22,25);1-7,9,11-12H,8,10H2,(H,23,26)(H,21,22,24);1-12H,(H,21,24)(H2,22,23,25) |
| InChIKey | JFHXLHMZWIVJFV-UHFFFAOYSA-N |
| XLogP | 16.56 |
| TPSA | 403.55 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 121 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1810.51 |
| LogP ≤ 5 | 16.56 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2ccc(C(F)(F)F)cc21.O=C(CCN1CCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2ncccc2c1.
What is the InChIKey of 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?
The InChIKey is JFHXLHMZWIVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3S2.C20H20N4O3S2.C19H16ClN5O3S2.C19H15N5O3S2/c1-13(28-10-8-14-2-3-15(12-18(14)28)21(22,23)24)19(29)26-16-4-6-17(7-5-16)33(30,31)27-20-25-9-11-32-20;25-19(10-13-24-12-9-15-3-1-2-4-18(15)24)22-16-5-7-17(8-6-16)29(26,27)23-20-21-11-14-28-20;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(23-15-5-8-17-13(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/h2-13H,1H3,(H,25,27)(H,26,29);1-8,11,14H,9-10,12-13H2,(H,21,23)(H,22,25);1-7,9,11-12H,8,10H2,(H,23,26)(H,21,22,24);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;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?
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 has a molecular weight of 1810.51 g/mol, XLogP of 16.56, 25 rotatable bonds, 9 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;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 is sourced from PubChem (CID 158900036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158900036 — identifiers, structure, computed properties (public domain)
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