3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C60H53F3N12O9S6 — CID 158464002

About 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 158464002) has the molecular formula C60H53F3N12O9S6 and a molecular weight of 1335.55 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
• PubChem CID: 158464002
• Molecular Formula: C60H53F3N12O9S6
• Molecular Weight: 1335.55 g/mol
• Exact Mass: 1334.23
• IUPAC Name: 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
• SMILES: O=C(CCN1CCc2cc(F)ccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(CCn1ccc2c(F)cccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(CCn1ccc2cc(F)ccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
• InChI: InChI=1S/C20H19FN4O3S2.2C20H17FN4O3S2/c2*21-15-1-6-18-14(13-15)7-10-25(18)11-8-19(26)23-16-2-4-17(5-3-16)30(27,28)24-20-22-9-12-29-20;21-17-2-1-3-18-16(17)8-11-25(18)12-9-19(26)23-14-4-6-15(7-5-14)30(27,28)24-20-22-10-13-29-20/h1-6,9,12-13H,7-8,10-11H2,(H,22,24)(H,23,26);1-7,9-10,12-13H,8,11H2,(H,22,24)(H,23,26);1-8,10-11,13H,9,12H2,(H,22,24)(H,23,26)
• InChIKey: HFNGVAXGQFMUHC-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 277.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1335.55
LogP ≤ 5	11.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?

The IUPAC name of 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 158464002) is 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

What is the SMILES notation for 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?

The canonical SMILES for 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is O=C(CCN1CCc2cc(F)ccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(CCn1ccc2c(F)cccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C(CCn1ccc2cc(F)ccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.

What is the InChIKey of 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?

The InChIKey is HFNGVAXGQFMUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S2.2C20H17FN4O3S2/c2*21-15-1-6-18-14(13-15)7-10-25(18)11-8-19(26)23-16-2-4-17(5-3-16)30(27,28)24-20-22-9-12-29-20;21-17-2-1-3-18-16(17)8-11-25(18)12-9-19(26)23-14-4-6-15(7-5-14)30(27,28)24-20-22-10-13-29-20/h1-6,9,12-13H,7-8,10-11H2,(H,22,24)(H,23,26);1-7,9-10,12-13H,8,11H2,(H,22,24)(H,23,26);1-8,10-11,13H,9,12H2,(H,22,24)(H,23,26).

What are the key properties of 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?

3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 1335.55 g/mol, XLogP of 11.61, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-fluoro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 158464002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).