2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C17H27ClN4O3S — CID 55627423

IUPAC2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCCCCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN4O3S/c1-3-4-9-20(2)26(24,25)22-12-10-21(11-13-22)14-17(23)19-16-8-6-5-7-15(16)18/h5-8H,3-4,9-14H2,1-2H3,(H,19,23)
InChIKeyJGRLTMOCKPURDG-UHFFFAOYSA-N
MW402.95 g/mol
LogP1.87
Rot. Bonds8

About 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 55627423) has the molecular formula C17H27ClN4O3S and a molecular weight of 402.95 g/mol. Its IUPAC name is 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID55627423
Molecular FormulaC17H27ClN4O3S
Molecular Weight402.95 g/mol
Exact Mass402.15
IUPAC Name2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCCCCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN4O3S/c1-3-4-9-20(2)26(24,25)22-12-10-21(11-13-22)14-17(23)19-16-8-6-5-7-15(16)18/h5-8H,3-4,9-14H2,1-2H3,(H,19,23)
InChIKeyJGRLTMOCKPURDG-UHFFFAOYSA-N
XLogP1.87
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
CID 8800252
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55627385
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650
N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 34782547
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563

Frequently Asked Questions

What is the IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 55627423) is 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is CCCCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is JGRLTMOCKPURDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O3S/c1-3-4-9-20(2)26(24,25)22-12-10-21(11-13-22)14-17(23)19-16-8-6-5-7-15(16)18/h5-8H,3-4,9-14H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 402.95 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 55627423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).