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

C21H24N4O3S — CID 9286797

IUPAC2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-2-17-7-9-19(10-8-17)23-21(26)16-24-11-13-25(14-12-24)29(27,28)20-6-4-3-5-18(20)15-22/h3-10H,2,11-14,16H2,1H3,(H,23,26)
InChIKeyNKZWWAOBTSXDQJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.07
Rot. Bonds6

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

2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 9286797) 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-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide
PubChem CID9286797
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-2-17-7-9-19(10-8-17)23-21(26)16-24-11-13-25(14-12-24)29(27,28)20-6-4-3-5-18(20)15-22/h3-10H,2,11-14,16H2,1H3,(H,23,26)
InChIKeyNKZWWAOBTSXDQJ-UHFFFAOYSA-N
XLogP2.07
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 9286817
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9286824
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9286814
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 9286837
N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 112769574
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 34700506
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11938600
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
methyl 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 55366799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide (CID 9286797) is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1.
What is the InChIKey of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is NKZWWAOBTSXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-2-17-7-9-19(10-8-17)23-21(26)16-24-11-13-25(14-12-24)29(27,28)20-6-4-3-5-18(20)15-22/h3-10H,2,11-14,16H2,1H3,(H,23,26).
What are the key properties of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide?
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 2.07, 6 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 9286797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).