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

C22H26N4O3S — CID 112769574

IUPACN-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-2-3-18-6-10-21(11-7-18)30(28,29)26-14-12-25(13-15-26)17-22(27)24-20-8-4-19(16-23)5-9-20/h4-11H,2-3,12-15,17H2,1H3,(H,24,27)
InChIKeySKUUBLHGUPANOG-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.46
Rot. Bonds7

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

N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 112769574) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID112769574
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-2-3-18-6-10-21(11-7-18)30(28,29)26-14-12-25(13-15-26)17-22(27)24-20-8-4-19(16-23)5-9-20/h4-11H,2-3,12-15,17H2,1H3,(H,24,27)
InChIKeySKUUBLHGUPANOG-UHFFFAOYSA-N
XLogP2.46
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16598180
N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411242
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
N-(1-cyanocyclopentyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393591
N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393707
N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8678550
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide
CID 9286797
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027
N-(4-acetylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197196

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 112769574) is N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is SKUUBLHGUPANOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-2-3-18-6-10-21(11-7-18)30(28,29)26-14-12-25(13-15-26)17-22(27)24-20-8-4-19(16-23)5-9-20/h4-11H,2-3,12-15,17H2,1H3,(H,24,27).
What are the key properties of N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 112769574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).