4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide

C22H37N5O4S — CID 20604018

IUPAC4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide
SMILESCC(C)(C)C(=O)N1CCN(CNC(=O)c2ccc(S(=O)(=O)NCCCCCN)cc2)CC1
InChIInChI=1S/C22H37N5O4S/c1-22(2,3)21(29)27-15-13-26(14-16-27)17-24-20(28)18-7-9-19(10-8-18)32(30,31)25-12-6-4-5-11-23/h7-10,25H,4-6,11-17,23H2,1-3H3,(H,24,28)
InChIKeyCRBDZKWTZQOYCI-UHFFFAOYSA-N
MW467.64 g/mol
LogP0.97
Rot. Bonds10

About 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide

4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide (PubChem CID 20604018) has the molecular formula C22H37N5O4S and a molecular weight of 467.64 g/mol. Its IUPAC name is 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide
PubChem CID20604018
Molecular FormulaC22H37N5O4S
Molecular Weight467.64 g/mol
Exact Mass467.26
IUPAC Name4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide
SMILESCC(C)(C)C(=O)N1CCN(CNC(=O)c2ccc(S(=O)(=O)NCCCCCN)cc2)CC1
InChIInChI=1S/C22H37N5O4S/c1-22(2,3)21(29)27-15-13-26(14-16-27)17-24-20(28)18-7-9-19(10-8-18)32(30,31)25-12-6-4-5-11-23/h7-10,25H,4-6,11-17,23H2,1-3H3,(H,24,28)
InChIKeyCRBDZKWTZQOYCI-UHFFFAOYSA-N
XLogP0.97
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]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-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide
CID 20604027
N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
CID 119405530
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382
N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide
CID 110675110
4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8844139
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-[3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propyl]methanesulfonamide
CID 86842598
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide (CID 20604018) is 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide is CC(C)(C)C(=O)N1CCN(CNC(=O)c2ccc(S(=O)(=O)NCCCCCN)cc2)CC1.
What is the InChIKey of 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is CRBDZKWTZQOYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O4S/c1-22(2,3)21(29)27-15-13-26(14-16-27)17-24-20(28)18-7-9-19(10-8-18)32(30,31)25-12-6-4-5-11-23/h7-10,25H,4-6,11-17,23H2,1-3H3,(H,24,28).
What are the key properties of 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide?
4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 467.64 g/mol, XLogP of 0.97, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 20604018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).