N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride

C15H28Cl2N4O3S2 — CID 119994670

IUPACN-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
SMILESCC(=O)NCCc1ccc(S(=O)(=O)NCCCN2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C15H26N4O3S2.2ClH/c1-13(20)17-7-5-14-3-4-15(23-14)24(21,22)18-6-2-10-19-11-8-16-9-12-19;;/h3-4,16,18H,2,5-12H2,1H3,(H,17,20);2*1H
InChIKeyGHBHDYQBLSYYOF-UHFFFAOYSA-N
MW447.45 g/mol
LogP0.84
Rot. Bonds9

About N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride

N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride (PubChem CID 119994670) has the molecular formula C15H28Cl2N4O3S2 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
PubChem CID119994670
Molecular FormulaC15H28Cl2N4O3S2
Molecular Weight447.45 g/mol
Exact Mass446.10
IUPAC NameN-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
SMILESCC(=O)NCCc1ccc(S(=O)(=O)NCCCN2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C15H26N4O3S2.2ClH/c1-13(20)17-7-5-14-3-4-15(23-14)24(21,22)18-6-2-10-19-11-8-16-9-12-19;;/h3-4,16,18H,2,5-12H2,1H3,(H,17,20);2*1H
InChIKeyGHBHDYQBLSYYOF-UHFFFAOYSA-N
XLogP0.84
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 120717360
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
CID 119964284
N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 124625985
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 120717361
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride
CID 119966296
N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119989352
N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119980807
4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394190
N-[2-[5-[(3,5-dimethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068610
N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
CID 120583485
N-[2-[5-[piperidin-4-yl(propyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 119993872
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride?
The IUPAC name of N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride (CID 119994670) is N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride.
What is the SMILES notation for N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride?
The canonical SMILES for N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride is CC(=O)NCCc1ccc(S(=O)(=O)NCCCN2CCNCC2)s1.Cl.Cl.
What is the InChIKey of N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride?
The InChIKey is GHBHDYQBLSYYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S2.2ClH/c1-13(20)17-7-5-14-3-4-15(23-14)24(21,22)18-6-2-10-19-11-8-16-9-12-19;;/h3-4,16,18H,2,5-12H2,1H3,(H,17,20);2*1H.
What are the key properties of N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride?
N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride has a molecular weight of 447.45 g/mol, XLogP of 0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119994670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).