4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide

C19H32N4O4S — CID 55656660

IUPAC4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N4O4S/c1-22-12-14-23(15-13-22)11-4-3-9-20-19(24)17-5-7-18(8-6-17)28(25,26)21-10-16-27-2/h5-8,21H,3-4,9-16H2,1-2H3,(H,20,24)
InChIKeyABKBVAAFEHAKCU-UHFFFAOYSA-N
MW412.56 g/mol
LogP0.37
Rot. Bonds11

About 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide

4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide (PubChem CID 55656660) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
PubChem CID55656660
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N4O4S/c1-22-12-14-23(15-13-22)11-4-3-9-20-19(24)17-5-7-18(8-6-17)28(25,26)21-10-16-27-2/h5-8,21H,3-4,9-16H2,1-2H3,(H,20,24)
InChIKeyABKBVAAFEHAKCU-UHFFFAOYSA-N
XLogP0.37
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55634096
4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446751
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
CID 56812631
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390825
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide (CID 55656660) is 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The InChIKey is ABKBVAAFEHAKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-22-12-14-23(15-13-22)11-4-3-9-20-19(24)17-5-7-18(8-6-17)28(25,26)21-10-16-27-2/h5-8,21H,3-4,9-16H2,1-2H3,(H,20,24).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide has a molecular weight of 412.56 g/mol, XLogP of 0.37, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 55656660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).