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

C63H57F3N12O9S6 — CID 159864393

IUPAC3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide
SMILESCc1cc2ccccc2n1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.Cc1cn(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCn1ccc2ccc(C(F)(F)F)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17F3N4O3S2.2C21H20N4O3S2/c22-21(23,24)15-2-1-14-7-10-28(18(14)13-15)11-8-19(29)26-16-3-5-17(6-4-16)33(30,31)27-20-25-9-12-32-20;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;1-15-14-16-4-2-3-5-19(16)25(15)12-10-20(26)23-17-6-8-18(9-7-17)30(27,28)24-21-22-11-13-29-21/h1-7,9-10,12-13H,8,11H2,(H,25,27)(H,26,29);2*2-9,11,13-14H,10,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyNRNYOVZVHJUJMK-UHFFFAOYSA-N
MW1375.62 g/mol
LogP13.42
Rot. Bonds21

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

3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide (PubChem CID 159864393) has the molecular formula C63H57F3N12O9S6 and a molecular weight of 1375.62 g/mol. Its IUPAC name is 3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide.

Molecular Properties

Compound Name3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide
PubChem CID159864393
Molecular FormulaC63H57F3N12O9S6
Molecular Weight1375.62 g/mol
Exact Mass1374.26
IUPAC Name3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide
SMILESCc1cc2ccccc2n1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.Cc1cn(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCn1ccc2ccc(C(F)(F)F)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17F3N4O3S2.2C21H20N4O3S2/c22-21(23,24)15-2-1-14-7-10-28(18(14)13-15)11-8-19(29)26-16-3-5-17(6-4-16)33(30,31)27-20-25-9-12-32-20;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;1-15-14-16-4-2-3-5-19(16)25(15)12-10-20(26)23-17-6-8-18(9-7-17)30(27,28)24-21-22-11-13-29-21/h1-7,9-10,12-13H,8,11H2,(H,25,27)(H,26,29);2*2-9,11,13-14H,10,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyNRNYOVZVHJUJMK-UHFFFAOYSA-N
XLogP13.42
TPSA279.27 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001375.62
LogP ≤ 513.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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

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Related Compounds

4-[2-oxo-4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24873420
4-(2-Oxo-4-(2-(6-(trifluoromethyl)-1H-indol-1-yl)acetyl)piperazin-1-yl)-N-(thiazol-2-yl)benzenesulfonamide
CID 53627615
4-(4-(2-Methyl-2-(6-(trifluoromethyl)-1H-indol-1-yl)propanoyl)-2-oxopiperazin-1-yl)-N-(thiazol-2-yl)benzenesulfonamide
CID 53627620
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide
CID 57936366
3-(5,6-difluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 57936389
3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 57936429
3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 57936437
3-(5-fluoro-2-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 57936444
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide
CID 57936461
N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 58215427
N-(1,3-thiazol-2-yl)-4-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 59465648
4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466006

Frequently Asked Questions

What is the IUPAC name of 3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide?
The IUPAC name of 3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide (CID 159864393) is 3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide.
What is the SMILES notation for 3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide?
The canonical SMILES for 3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide is Cc1cc2ccccc2n1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.Cc1cn(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12.O=C(CCn1ccc2ccc(C(F)(F)F)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide?
The InChIKey is NRNYOVZVHJUJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3S2.2C21H20N4O3S2/c22-21(23,24)15-2-1-14-7-10-28(18(14)13-15)11-8-19(29)26-16-3-5-17(6-4-16)33(30,31)27-20-25-9-12-32-20;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;1-15-14-16-4-2-3-5-19(16)25(15)12-10-20(26)23-17-6-8-18(9-7-17)30(27,28)24-21-22-11-13-29-21/h1-7,9-10,12-13H,8,11H2,(H,25,27)(H,26,29);2*2-9,11,13-14H,10,12H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide?
3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide has a molecular weight of 1375.62 g/mol, XLogP of 13.42, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(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;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide is sourced from PubChem (CID 159864393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).