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

C21H28N3O3S+ — CID 9393645

IUPACN-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-6-18-9-11-20(12-10-18)28(26,27)24-15-13-23(14-16-24)17-21(25)22-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3,(H,22,25)/p+1
InChIKeyJGBVMVQXZPSXOG-UHFFFAOYSA-O
MW402.54 g/mol
LogP1.17
Rot. Bonds7

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

N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide (PubChem CID 9393645) has the molecular formula C21H28N3O3S+ and a molecular weight of 402.54 g/mol. Its IUPAC name is N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
PubChem CID9393645
Molecular FormulaC21H28N3O3S+
Molecular Weight402.54 g/mol
Exact Mass402.18
IUPAC NameN-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-6-18-9-11-20(12-10-18)28(26,27)24-15-13-23(14-16-24)17-21(25)22-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3,(H,22,25)/p+1
InChIKeyJGBVMVQXZPSXOG-UHFFFAOYSA-O
XLogP1.17
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393633
N-(2-fluorophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393672
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646
N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide
CID 8743627
methyl N-[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate
CID 9393606
N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8678549
N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393696
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-iodophenyl)acetamide
CID 2399038
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 2655575
N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411242
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)acetamide
CID 9391477

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide (CID 9393645) is N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide is CCCc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The InChIKey is JGBVMVQXZPSXOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O3S/c1-2-6-18-9-11-20(12-10-18)28(26,27)24-15-13-23(14-16-24)17-21(25)22-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3,(H,22,25)/p+1.
What are the key properties of N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide has a molecular weight of 402.54 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9393645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).