N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide

C28H28N4OS — CID 143509872

About N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide

N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide (PubChem CID 143509872) has the molecular formula C28H28N4OS and a molecular weight of 468.63 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide.

Molecular Properties

• Compound Name: N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide
• PubChem CID: 143509872
• Molecular Formula: C28H28N4OS
• Molecular Weight: 468.63 g/mol
• Exact Mass: 468.20
• IUPAC Name: N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide
• SMILES: CCCS(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cc(C)ccn4)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C28H28N4OS/c1-3-15-34(33)31-22-10-7-20(8-11-22)28-25(18-29)24-12-9-21(26-16-19(2)13-14-30-26)17-27(24)32(28)23-5-4-6-23/h7-14,16-17,23,31H,3-6,15H2,1-2H3
• InChIKey: JMDBEQBYDZZEJB-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 70.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.63
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide?

The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide (CID 143509872) is N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide.

What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide?

The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide is CCCS(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cc(C)ccn4)cc3n2C2CCC2)cc1.

What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide?

The InChIKey is JMDBEQBYDZZEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4OS/c1-3-15-34(33)31-22-10-7-20(8-11-22)28-25(18-29)24-12-9-21(26-16-19(2)13-14-30-26)17-27(24)32(28)23-5-4-6-23/h7-14,16-17,23,31H,3-6,15H2,1-2H3.

What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide?

N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide has a molecular weight of 468.63 g/mol, XLogP of 6.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide is sourced from PubChem (CID 143509872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).