N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide

C28H34N4O2S — CID 59425357

About N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide

N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide (PubChem CID 59425357) has the molecular formula C28H34N4O2S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide
• PubChem CID: 59425357
• Molecular Formula: C28H34N4O2S
• Molecular Weight: 490.67 g/mol
• Exact Mass: 490.24
• IUPAC Name: N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide
• SMILES: CC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCCC4)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C28H34N4O2S/c1-20(2)19-35(33,34)30-22-11-9-21(10-12-22)28-26(18-29)25-14-13-24(31-15-4-3-5-16-31)17-27(25)32(28)23-7-6-8-23/h9-14,17,20,23,30H,3-8,15-16,19H2,1-2H3
• InChIKey: FWCQFOJRUCUYGM-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 78.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.67
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide?

The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide (CID 59425357) is N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide.

What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide?

The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCCC4)cc3n2C2CCC2)cc1.

What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide?

The InChIKey is FWCQFOJRUCUYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2S/c1-20(2)19-35(33,34)30-22-11-9-21(10-12-22)28-26(18-29)25-14-13-24(31-15-4-3-5-16-31)17-27(25)32(28)23-7-6-8-23/h9-14,17,20,23,30H,3-8,15-16,19H2,1-2H3.

What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide?

N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide has a molecular weight of 490.67 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 59425357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).