N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide

C26H29N5O3S — CID 71177346

About N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide

N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide (PubChem CID 71177346) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide
• PubChem CID: 71177346
• Molecular Formula: C26H29N5O3S
• Molecular Weight: 491.62 g/mol
• Exact Mass: 491.20
• IUPAC Name: N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4C)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C26H29N5O3S/c1-3-15-35(32,33)30-19-9-7-18(8-10-19)25-24(27)22-12-11-21(34-26-17(2)28-13-14-29-26)16-23(22)31(25)20-5-4-6-20/h7-14,16,20,30H,3-6,15,27H2,1-2H3
• InChIKey: VXSPESABSSYIMG-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 112.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.62
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide (CID 71177346) is N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4C)cc3n2C2CCC2)cc1.

What is the InChIKey of N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide?

The InChIKey is VXSPESABSSYIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-3-15-35(32,33)30-19-9-7-18(8-10-19)25-24(27)22-12-11-21(34-26-17(2)28-13-14-29-26)16-23(22)31(25)20-5-4-6-20/h7-14,16,20,30H,3-6,15,27H2,1-2H3.

What are the key properties of N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide?

N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide has a molecular weight of 491.62 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71177346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).