3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C17H29ClN4O3S — CID 119393763

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-18-25(23,24)16-6-3-15(4-7-16)5-8-17(22)20-9-2-12-21-13-10-19-11-14-21;/h3-4,6-7,18-19H,2,5,8-14H2,1H3,(H,20,22);1H
InChIKeyYRDRNHFVGBOBKZ-UHFFFAOYSA-N
MW404.96 g/mol
LogP0.36
Rot. Bonds9

About 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119393763) has the molecular formula C17H29ClN4O3S and a molecular weight of 404.96 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119393763
Molecular FormulaC17H29ClN4O3S
Molecular Weight404.96 g/mol
Exact Mass404.16
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-18-25(23,24)16-6-3-15(4-7-16)5-8-17(22)20-9-2-12-21-13-10-19-11-14-21;/h3-4,6-7,18-19H,2,5,8-14H2,1H3,(H,20,22);1H
InChIKeyYRDRNHFVGBOBKZ-UHFFFAOYSA-N
XLogP0.36
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119417766
3-[(4-nitrophenyl)sulfonylamino]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391413
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180667
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392670

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119393763) is 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is CNS(=O)(=O)c1ccc(CCC(=O)NCCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is YRDRNHFVGBOBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S.ClH/c1-18-25(23,24)16-6-3-15(4-7-16)5-8-17(22)20-9-2-12-21-13-10-19-11-14-21;/h3-4,6-7,18-19H,2,5,8-14H2,1H3,(H,20,22);1H.
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119393763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).