2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide

C21H18F3N3O3S2 — CID 43055333

About 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide

2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 43055333) has the molecular formula C21H18F3N3O3S2 and a molecular weight of 481.52 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
• PubChem CID: 43055333
• Molecular Formula: C21H18F3N3O3S2
• Molecular Weight: 481.52 g/mol
• Exact Mass: 481.07
• IUPAC Name: 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
• SMILES: CC1Cc2cc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)ccc2N1S(C)(=O)=O
• InChI: InChI=1S/C21H18F3N3O3S2/c1-12-8-15-9-14(6-7-18(15)27(12)32(2,29)30)19(28)26-20-25-17(11-31-20)13-4-3-5-16(10-13)21(22,23)24/h3-7,9-12H,8H2,1-2H3,(H,25,26,28)
• InChIKey: HSTWFRAKHHNGGN-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.52
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide?

The IUPAC name of 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide (CID 43055333) is 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)ccc2N1S(C)(=O)=O.

What is the InChIKey of 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide?

The InChIKey is HSTWFRAKHHNGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3S2/c1-12-8-15-9-14(6-7-18(15)27(12)32(2,29)30)19(28)26-20-25-17(11-31-20)13-4-3-5-16(10-13)21(22,23)24/h3-7,9-12H,8H2,1-2H3,(H,25,26,28).

What are the key properties of 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide?

2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 43055333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).