N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C26H32N4O4S — CID 55634091

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H32N4O4S/c31-26(23-9-11-25(12-10-23)35(32,33)28-20-24-8-4-19-34-24)27-13-5-14-29-15-17-30(18-16-29)21-22-6-2-1-3-7-22/h1-4,6-12,19,28H,5,13-18,20-21H2,(H,27,31)
InChIKeyHORDCPLWAOVXNG-UHFFFAOYSA-N
MW496.63 g/mol
LogP2.70
Rot. Bonds11

About N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55634091) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID55634091
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H32N4O4S/c31-26(23-9-11-25(12-10-23)35(32,33)28-20-24-8-4-19-34-24)27-13-5-14-29-15-17-30(18-16-29)21-22-6-2-1-3-7-22/h1-4,6-12,19,28H,5,13-18,20-21H2,(H,27,31)
InChIKeyHORDCPLWAOVXNG-UHFFFAOYSA-N
XLogP2.70
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55634096
4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 51134591
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
4-(furan-2-ylmethylsulfamoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 27800512
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419539
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41111350
N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38253066
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-phenylbenzenesulfonamide
CID 166869256

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 55634091) is N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is HORDCPLWAOVXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c31-26(23-9-11-25(12-10-23)35(32,33)28-20-24-8-4-19-34-24)27-13-5-14-29-15-17-30(18-16-29)21-22-6-2-1-3-7-22/h1-4,6-12,19,28H,5,13-18,20-21H2,(H,27,31).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 496.63 g/mol, XLogP of 2.70, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55634091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).