2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C22H29ClN4O3S — CID 55565672

IUPAC2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1ccccc1Cl)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C22H29ClN4O3S/c1-17(20-4-2-3-5-21(20)23)27-14-12-26(13-15-27)16-22(28)25-11-10-18-6-8-19(9-7-18)31(24,29)30/h2-9,17H,10-16H2,1H3,(H,25,28)(H2,24,29,30)
InChIKeyXQNPMPFJJIHNDH-UHFFFAOYSA-N
MW465.02 g/mol
LogP2.02
Rot. Bonds8

About 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 55565672) has the molecular formula C22H29ClN4O3S and a molecular weight of 465.02 g/mol. Its IUPAC name is 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID55565672
Molecular FormulaC22H29ClN4O3S
Molecular Weight465.02 g/mol
Exact Mass464.16
IUPAC Name2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1ccccc1Cl)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C22H29ClN4O3S/c1-17(20-4-2-3-5-21(20)23)27-14-12-26(13-15-27)16-22(28)25-11-10-18-6-8-19(9-7-18)31(24,29)30/h2-9,17H,10-16H2,1H3,(H,25,28)(H2,24,29,30)
InChIKeyXQNPMPFJJIHNDH-UHFFFAOYSA-N
XLogP2.02
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 134010431
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 30721204
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 134060036
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 34422322
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 46571303
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 120776717
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46571515
2-[(2-chlorophenyl)methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108997936
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
(2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 40715955

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 55565672) is 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC(c1ccccc1Cl)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is XQNPMPFJJIHNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3S/c1-17(20-4-2-3-5-21(20)23)27-14-12-26(13-15-27)16-22(28)25-11-10-18-6-8-19(9-7-18)31(24,29)30/h2-9,17H,10-16H2,1H3,(H,25,28)(H2,24,29,30).
What are the key properties of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 465.02 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 55565672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).