4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide

C17H26N4O4S — CID 119448151

IUPAC4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-20(2)16(22)13-26(24,25)15-5-3-14(4-6-15)17(23)19-9-12-21-10-7-18-8-11-21/h3-6,18H,7-13H2,1-2H3,(H,19,23)
InChIKeyAMKLIYMFFFAQMX-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.82
Rot. Bonds7

About 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide

4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119448151) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119448151
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-20(2)16(22)13-26(24,25)15-5-3-14(4-6-15)17(23)19-9-12-21-10-7-18-8-11-21/h3-6,18H,7-13H2,1-2H3,(H,19,23)
InChIKeyAMKLIYMFFFAQMX-UHFFFAOYSA-N
XLogP-0.82
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446751
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536975
4-(cyclopropylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119447342
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448751
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide (CID 119448151) is 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide is CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCN2CCNCC2)cc1.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is AMKLIYMFFFAQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-20(2)16(22)13-26(24,25)15-5-3-14(4-6-15)17(23)19-9-12-21-10-7-18-8-11-21/h3-6,18H,7-13H2,1-2H3,(H,19,23).
What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide?
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 382.49 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119448151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).