N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide

C27H32N4O5S — CID 22220447

About N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 22220447) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 22220447
• Molecular Formula: C27H32N4O5S
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.21
• IUPAC Name: N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCC(NCC(O)c4ccc(O)cc4)CC3)cc2)cc1
• InChI: InChI=1S/C27H32N4O5S/c1-19(32)29-22-6-12-26(13-7-22)37(35,36)30-23-4-8-24(9-5-23)31-16-14-21(15-17-31)28-18-27(34)20-2-10-25(33)11-3-20/h2-13,21,27-28,30,33-34H,14-18H2,1H3,(H,29,32)
• InChIKey: FJUSDPHWKMDPCK-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 131.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide (CID 22220447) is N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCC(NCC(O)c4ccc(O)cc4)CC3)cc2)cc1.

What is the InChIKey of N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide?

The InChIKey is FJUSDPHWKMDPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5S/c1-19(32)29-22-6-12-26(13-7-22)37(35,36)30-23-4-8-24(9-5-23)31-16-14-21(15-17-31)28-18-27(34)20-2-10-25(33)11-3-20/h2-13,21,27-28,30,33-34H,14-18H2,1H3,(H,29,32).

What are the key properties of N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide?

N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 524.64 g/mol, XLogP of 3.44, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22220447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).