N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide

C22H30N4O3S — CID 56546473

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N4O3S/c23-30(28,29)21-9-7-19(8-10-21)17-22(27)24-11-4-12-25-13-15-26(16-14-25)18-20-5-2-1-3-6-20/h1-3,5-10H,4,11-18H2,(H,24,27)(H2,23,28,29)
InChIKeyGHDJQCUYWDXIGO-UHFFFAOYSA-N
MW430.57 g/mol
LogP1.20
Rot. Bonds9

About N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56546473) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56546473
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N4O3S/c23-30(28,29)21-9-7-19(8-10-21)17-22(27)24-11-4-12-25-13-15-26(16-14-25)18-20-5-2-1-3-6-20/h1-3,5-10H,4,11-18H2,(H,24,27)(H2,23,28,29)
InChIKeyGHDJQCUYWDXIGO-UHFFFAOYSA-N
XLogP1.20
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 160562971
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108516978
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
2-chloroethyl N-[3-(4-benzylpiperazin-1-yl)propyl]carbamate
CID 18430905
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide
CID 120597571
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546152
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 39302925
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide (CID 56546473) is N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is GHDJQCUYWDXIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c23-30(28,29)21-9-7-19(8-10-21)17-22(27)24-11-4-12-25-13-15-26(16-14-25)18-20-5-2-1-3-6-20/h1-3,5-10H,4,11-18H2,(H,24,27)(H2,23,28,29).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 430.57 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56546473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).