N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide

C29H33N3O4S — CID 92649244

About N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide

N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide (PubChem CID 92649244) has the molecular formula C29H33N3O4S and a molecular weight of 519.67 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide
• PubChem CID: 92649244
• Molecular Formula: C29H33N3O4S
• Molecular Weight: 519.67 g/mol
• Exact Mass: 519.22
• IUPAC Name: N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)cc1
• InChI: InChI=1S/C29H33N3O4S/c1-24-10-16-28(17-11-24)37(34,35)30(2)26-12-14-27(15-13-26)36-23-29(33)32-21-19-31(20-22-32)18-6-9-25-7-4-3-5-8-25/h3-17H,18-23H2,1-2H3/b9-6+
• InChIKey: VADWHIWQUJCYJH-RMKNXTFCSA-N
• XLogP: 4.06
• TPSA: 70.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.67
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide?

The IUPAC name of N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide (CID 92649244) is N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide.

What is the SMILES notation for N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide?

The canonical SMILES for N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)cc1.

What is the InChIKey of N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide?

The InChIKey is VADWHIWQUJCYJH-RMKNXTFCSA-N. The full InChI is InChI=1S/C29H33N3O4S/c1-24-10-16-28(17-11-24)37(34,35)30(2)26-12-14-27(15-13-26)36-23-29(33)32-21-19-31(20-22-32)18-6-9-25-7-4-3-5-8-25/h3-17H,18-23H2,1-2H3/b9-6+.

What are the key properties of N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide?

N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide has a molecular weight of 519.67 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 92649244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).