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

C19H32N3O3S+ — CID 9393696

IUPACN-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-4-5-17-6-8-18(9-7-17)26(24,25)22-12-10-21(11-13-22)15-19(23)20-14-16(2)3/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)/p+1
InChIKeyGMFWHNWZGADQPC-UHFFFAOYSA-O
MW382.55 g/mol
LogP0.30
Rot. Bonds8

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

N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide (PubChem CID 9393696) has the molecular formula C19H32N3O3S+ and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
PubChem CID9393696
Molecular FormulaC19H32N3O3S+
Molecular Weight382.55 g/mol
Exact Mass382.22
IUPAC NameN-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-4-5-17-6-8-18(9-7-17)26(24,25)22-12-10-21(11-13-22)15-19(23)20-14-16(2)3/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)/p+1
InChIKeyGMFWHNWZGADQPC-UHFFFAOYSA-O
XLogP0.30
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8678549
methyl N-[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate
CID 9393606
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393645
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
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide
CID 8758217
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide
CID 8744691
N-propan-2-yl-2-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8819321
2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentylacetamide
CID 8692174
2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8687988
N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9443914
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9257896

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide (CID 9393696) is N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide is CCCc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The InChIKey is GMFWHNWZGADQPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31N3O3S/c1-4-5-17-6-8-18(9-7-17)26(24,25)22-12-10-21(11-13-22)15-19(23)20-14-16(2)3/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)/p+1.
What are the key properties of N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide has a molecular weight of 382.55 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9393696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).