4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide

C30H35N3O4S — CID 30143901

About 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide

4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide (PubChem CID 30143901) has the molecular formula C30H35N3O4S and a molecular weight of 533.69 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide
• PubChem CID: 30143901
• Molecular Formula: C30H35N3O4S
• Molecular Weight: 533.69 g/mol
• Exact Mass: 533.23
• IUPAC Name: 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C
• InChI: InChI=1S/C30H35N3O4S/c1-24-22-27(15-16-29(24)37-2)38(35,36)31-28(23-26-12-7-4-8-13-26)30(34)33-20-18-32(19-21-33)17-9-14-25-10-5-3-6-11-25/h3-16,22,28,31H,17-21,23H2,1-2H3/b14-9+/t28-/m1/s1
• InChIKey: QDMWIPQBATUEPQ-LZZUIANGSA-N
• XLogP: 3.75
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.69
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide?

The IUPAC name of 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide (CID 30143901) is 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C.

What is the InChIKey of 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide?

The InChIKey is QDMWIPQBATUEPQ-LZZUIANGSA-N. The full InChI is InChI=1S/C30H35N3O4S/c1-24-22-27(15-16-29(24)37-2)38(35,36)31-28(23-26-12-7-4-8-13-26)30(34)33-20-18-32(19-21-33)17-9-14-25-10-5-3-6-11-25/h3-16,22,28,31H,17-21,23H2,1-2H3/b14-9+/t28-/m1/s1.

What are the key properties of 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide?

4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide has a molecular weight of 533.69 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 30143901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).