2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide

C19H29N4O4S+ — CID 7205951

IUPAC2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N4O4S/c1-15(24)20-17-6-8-18(9-7-17)28(26,27)23-12-10-22(11-13-23)14-19(25)21-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3,(H,20,24)(H,21,25)/p+1
InChIKeyQJIKXRORRLQKGW-UHFFFAOYSA-O
MW409.53 g/mol
LogP-0.41
Rot. Bonds6

About 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide

2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide (PubChem CID 7205951) has the molecular formula C19H29N4O4S+ and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide
PubChem CID7205951
Molecular FormulaC19H29N4O4S+
Molecular Weight409.53 g/mol
Exact Mass409.19
IUPAC Name2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N4O4S/c1-15(24)20-17-6-8-18(9-7-17)28(26,27)23-12-10-22(11-13-23)14-19(25)21-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3,(H,20,24)(H,21,25)/p+1
InChIKeyQJIKXRORRLQKGW-UHFFFAOYSA-O
XLogP-0.41
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 7910326
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide
CID 8743627
2-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7471841
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 6971322
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8747636
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7434576
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 6971312
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide
CID 7368663
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
CID 4122064

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide (CID 7205951) is 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide?
The InChIKey is QJIKXRORRLQKGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N4O4S/c1-15(24)20-17-6-8-18(9-7-17)28(26,27)23-12-10-22(11-13-23)14-19(25)21-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3,(H,20,24)(H,21,25)/p+1.
What are the key properties of 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide?
2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide has a molecular weight of 409.53 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 7205951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).