N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C28H24F3N3O3S2 — CID 90448769

About N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 90448769) has the molecular formula C28H24F3N3O3S2 and a molecular weight of 571.65 g/mol. Its IUPAC name is N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 90448769
• Molecular Formula: C28H24F3N3O3S2
• Molecular Weight: 571.65 g/mol
• Exact Mass: 571.12
• IUPAC Name: N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccc(C(F)(F)F)c4)sc3C)ccc21
• InChI: InChI=1S/C28H24F3N3O3S2/c1-17-6-3-4-9-24(17)39(36,37)34-13-12-20-16-21(10-11-23(20)34)26-18(2)38-27(33-26)32-25(35)15-19-7-5-8-22(14-19)28(29,30)31/h3-11,14,16H,12-13,15H2,1-2H3,(H,32,33,35)
• InChIKey: HWVAXKTWCQRCSQ-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.65
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 90448769) is N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccc(C(F)(F)F)c4)sc3C)ccc21.

What is the InChIKey of N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is HWVAXKTWCQRCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O3S2/c1-17-6-3-4-9-24(17)39(36,37)34-13-12-20-16-21(10-11-23(20)34)26-18(2)38-27(33-26)32-25(35)15-19-7-5-8-22(14-19)28(29,30)31/h3-11,14,16H,12-13,15H2,1-2H3,(H,32,33,35).

What are the key properties of N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?

N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 571.65 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90448769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).