N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide

C25H27F3N2O3S — CID 170345381

About N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide

N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide (PubChem CID 170345381) has the molecular formula C25H27F3N2O3S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
• PubChem CID: 170345381
• Molecular Formula: C25H27F3N2O3S
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.17
• IUPAC Name: N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
• SMILES: CC(C)C(=O)n1cc([C@@H](C)NS(=O)(=O)C2CCC2)c2ccc(-c3ccccc3C(F)(F)F)cc21
• InChI: InChI=1S/C25H27F3N2O3S/c1-15(2)24(31)30-14-21(16(3)29-34(32,33)18-7-6-8-18)20-12-11-17(13-23(20)30)19-9-4-5-10-22(19)25(26,27)28/h4-5,9-16,18,29H,6-8H2,1-3H3/t16-/m1/s1
• InChIKey: MGWBWNCVWRWRFX-MRXNPFEDSA-N
• XLogP: 6.16
• TPSA: 68.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide?

The IUPAC name of N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide (CID 170345381) is N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide.

What is the SMILES notation for N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide?

The canonical SMILES for N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide is CC(C)C(=O)n1cc([C@@H](C)NS(=O)(=O)C2CCC2)c2ccc(-c3ccccc3C(F)(F)F)cc21.

What is the InChIKey of N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide?

The InChIKey is MGWBWNCVWRWRFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H27F3N2O3S/c1-15(2)24(31)30-14-21(16(3)29-34(32,33)18-7-6-8-18)20-12-11-17(13-23(20)30)19-9-4-5-10-22(19)25(26,27)28/h4-5,9-16,18,29H,6-8H2,1-3H3/t16-/m1/s1.

What are the key properties of N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide?

N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide has a molecular weight of 492.56 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide is sourced from PubChem (CID 170345381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).