2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide

C21H24N4O3S — CID 9286814

IUPAC2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S/c22-16-19-8-4-5-9-20(19)29(27,28)25-14-12-24(13-15-25)17-21(26)23-11-10-18-6-2-1-3-7-18/h1-9H,10-15,17H2,(H,23,26)
InChIKeyJOULZJGHMWRZLT-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.22
Rot. Bonds7

About 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 9286814) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID9286814
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S/c22-16-19-8-4-5-9-20(19)29(27,28)25-14-12-24(13-15-25)17-21(26)23-11-10-18-6-2-1-3-7-18/h1-9H,10-15,17H2,(H,23,26)
InChIKeyJOULZJGHMWRZLT-UHFFFAOYSA-N
XLogP1.22
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9286824
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide
CID 9286797
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 9286817
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41119670
2-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822233
2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4846784
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11938600
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 9286837
4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811219
methyl 3-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]methyl]benzoate
CID 31376382
2-(4-prop-2-enylpiperazin-1-yl)sulfonylbenzonitrile
CID 9255054

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 9286814) is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide is N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is JOULZJGHMWRZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c22-16-19-8-4-5-9-20(19)29(27,28)25-14-12-24(13-15-25)17-21(26)23-11-10-18-6-2-1-3-7-18/h1-9H,10-15,17H2,(H,23,26).
What are the key properties of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 9286814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).