N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide

C26H33N5O3S — CID 146306969

About N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide (PubChem CID 146306969) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide
• PubChem CID: 146306969
• Molecular Formula: C26H33N5O3S
• Molecular Weight: 495.65 g/mol
• Exact Mass: 495.23
• IUPAC Name: N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(C)c1OC
• InChI: InChI=1S/C26H33N5O3S/c1-4-13-35(32,33)30-24-16-20(14-18(2)25(24)34-3)23-15-21(17-29-26(23)27)19-5-7-22(8-6-19)31-11-9-28-10-12-31/h5-8,14-17,28,30H,4,9-13H2,1-3H3,(H2,27,29)
• InChIKey: XAVIPIHNPPAYAJ-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 109.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.65
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide?

The IUPAC name of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide (CID 146306969) is N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide?

The canonical SMILES for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(C)c1OC.

What is the InChIKey of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide?

The InChIKey is XAVIPIHNPPAYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-4-13-35(32,33)30-24-16-20(14-18(2)25(24)34-3)23-15-21(17-29-26(23)27)19-5-7-22(8-6-19)31-11-9-28-10-12-31/h5-8,14-17,28,30H,4,9-13H2,1-3H3,(H2,27,29).

What are the key properties of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide?

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide has a molecular weight of 495.65 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 146306969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).