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

C22H24F3N3O3S — CID 46483332

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

2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 46483332) has the molecular formula C22H24F3N3O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
• PubChem CID: 46483332
• Molecular Formula: C22H24F3N3O3S
• Molecular Weight: 467.51 g/mol
• Exact Mass: 467.15
• IUPAC Name: 2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
• SMILES: CC1Cc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)ccc2N1S(C)(=O)=O
• InChI: InChI=1S/C22H24F3N3O3S/c1-14-11-16-12-15(5-7-19(16)28(14)32(2,30)31)21(29)26-18-13-17(22(23,24)25)6-8-20(18)27-9-3-4-10-27/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,26,29)
• InChIKey: SEPHPOJLBXHMDE-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.51
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide (CID 46483332) is 2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide.

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

The canonical SMILES for 2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)ccc2N1S(C)(=O)=O.

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

The InChIKey is SEPHPOJLBXHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3S/c1-14-11-16-12-15(5-7-19(16)28(14)32(2,30)31)21(29)26-18-13-17(22(23,24)25)6-8-20(18)27-9-3-4-10-27/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,26,29).

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

2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46483332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).