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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide

C102H93Cl2F3N20O15S10 — CID 158608402

IUPAC2-(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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCc2cc(Cl)ccc21.CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2ccc(C(F)(F)F)cc21.CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2cccc(Cl)c21.Cc1ccc2c(ccn2C(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.O=C(CCN1CCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17F3N4O3S2.C21H20N4O3S2.C20H19ClN4O3S2.C20H17ClN4O3S2.C20H20N4O3S2/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;1-14-3-8-19-16(13-14)9-11-25(19)15(2)20(26)23-17-4-6-18(7-5-17)30(27,28)24-21-22-10-12-29-21;1-13(25-10-8-14-12-15(21)2-7-18(14)25)19(26)23-16-3-5-17(6-4-16)30(27,28)24-20-22-9-11-29-20;1-13(25-11-9-14-3-2-4-17(21)18(14)25)19(26)23-15-5-7-16(8-6-15)30(27,28)24-20-22-10-12-29-20;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/h2-13H,1H3,(H,25,27)(H,26,29);3-13,15H,1-2H3,(H,22,24)(H,23,26);2-7,9,11-13H,8,10H2,1H3,(H,22,24)(H,23,26);2-13H,1H3,(H,22,24)(H,23,26);1-8,11,14H,9-10,12-13H2,(H,21,23)(H,22,25)
InChIKeyHWNGLLSKEKBBDS-UHFFFAOYSA-N
MW2287.56 g/mol
LogP21.60
Rot. Bonds31

About 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide

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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide (PubChem CID 158608402) has the molecular formula C102H93Cl2F3N20O15S10 and a molecular weight of 2287.56 g/mol. Its IUPAC name is 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide.

Molecular Properties

Compound Name2-(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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide
PubChem CID158608402
Molecular FormulaC102H93Cl2F3N20O15S10
Molecular Weight2287.56 g/mol
Exact Mass2284.37
IUPAC Name2-(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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCc2cc(Cl)ccc21.CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2ccc(C(F)(F)F)cc21.CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2cccc(Cl)c21.Cc1ccc2c(ccn2C(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.O=C(CCN1CCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17F3N4O3S2.C21H20N4O3S2.C20H19ClN4O3S2.C20H17ClN4O3S2.C20H20N4O3S2/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;1-14-3-8-19-16(13-14)9-11-25(19)15(2)20(26)23-17-4-6-18(7-5-17)30(27,28)24-21-22-10-12-29-21;1-13(25-10-8-14-12-15(21)2-7-18(14)25)19(26)23-16-3-5-17(6-4-16)30(27,28)24-20-22-9-11-29-20;1-13(25-11-9-14-3-2-4-17(21)18(14)25)19(26)23-15-5-7-16(8-6-15)30(27,28)24-20-22-10-12-29-20;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/h2-13H,1H3,(H,25,27)(H,26,29);3-13,15H,1-2H3,(H,22,24)(H,23,26);2-7,9,11-13H,8,10H2,1H3,(H,22,24)(H,23,26);2-13H,1H3,(H,22,24)(H,23,26);1-8,11,14H,9-10,12-13H2,(H,21,23)(H,22,25)
InChIKeyHWNGLLSKEKBBDS-UHFFFAOYSA-N
XLogP21.60
TPSA462.07 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002287.56
LogP ≤ 521.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide?
The IUPAC name of 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide (CID 158608402) is 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide.
What is the SMILES notation for 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide?
The canonical SMILES for 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;3-(2,3-dihydroindol-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;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)N1CCc2cc(Cl)ccc21.CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2ccc(C(F)(F)F)cc21.CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2cccc(Cl)c21.Cc1ccc2c(ccn2C(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.O=C(CCN1CCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide?
The InChIKey is HWNGLLSKEKBBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3S2.C21H20N4O3S2.C20H19ClN4O3S2.C20H17ClN4O3S2.C20H20N4O3S2/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;1-14-3-8-19-16(13-14)9-11-25(19)15(2)20(26)23-17-4-6-18(7-5-17)30(27,28)24-21-22-10-12-29-21;1-13(25-10-8-14-12-15(21)2-7-18(14)25)19(26)23-16-3-5-17(6-4-16)30(27,28)24-20-22-9-11-29-20;1-13(25-11-9-14-3-2-4-17(21)18(14)25)19(26)23-15-5-7-16(8-6-15)30(27,28)24-20-22-10-12-29-20;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/h2-13H,1H3,(H,25,27)(H,26,29);3-13,15H,1-2H3,(H,22,24)(H,23,26);2-7,9,11-13H,8,10H2,1H3,(H,22,24)(H,23,26);2-13H,1H3,(H,22,24)(H,23,26);1-8,11,14H,9-10,12-13H2,(H,21,23)(H,22,25).
What are the key properties of 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide?
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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide has a molecular weight of 2287.56 g/mol, XLogP of 21.60, 31 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-(2,3-dihydroindol-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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide is sourced from PubChem (CID 158608402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).