4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline

C16H28N4O3S — CID 110627182

IUPAC4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1ccc(N2CCN(CCOC)CC2)cc1
InChIInChI=1S/C16H28N4O3S/c1-3-8-17-24(21,22)18-15-4-6-16(7-5-15)20-11-9-19(10-12-20)13-14-23-2/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyGJSBKZXJUCPJJD-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.11
Rot. Bonds9

About 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline

4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline (PubChem CID 110627182) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline
PubChem CID110627182
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1ccc(N2CCN(CCOC)CC2)cc1
InChIInChI=1S/C16H28N4O3S/c1-3-8-17-24(21,22)18-15-4-6-16(7-5-15)20-11-9-19(10-12-20)13-14-23-2/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyGJSBKZXJUCPJJD-UHFFFAOYSA-N
XLogP1.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(methylsulfamoyl)aniline
CID 110627180
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174
N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502661
1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine
CID 126963334
N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110302048
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
CID 3070132
4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
CID 131887743
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline
CID 110621030
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110615144

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline?
The IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline (CID 110627182) is 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline?
The canonical SMILES for 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1ccc(N2CCN(CCOC)CC2)cc1.
What is the InChIKey of 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline?
The InChIKey is GJSBKZXJUCPJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-3-8-17-24(21,22)18-15-4-6-16(7-5-15)20-11-9-19(10-12-20)13-14-23-2/h4-7,17-18H,3,8-14H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline?
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline has a molecular weight of 356.49 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 110627182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).