2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide

C20H34N3O5S+ — CID 8804057

IUPAC2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC[NH+](CC(=O)N(C(C)C)C(C)C)CC2)c1
InChIInChI=1S/C20H33N3O5S/c1-15(2)23(16(3)4)20(24)14-21-9-11-22(12-10-21)29(25,26)19-13-17(27-5)7-8-18(19)28-6/h7-8,13,15-16H,9-12,14H2,1-6H3/p+1
InChIKeyFKMIPYNBIJTISI-UHFFFAOYSA-O
MW428.58 g/mol
LogP0.24
Rot. Bonds8

About 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide

2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 8804057) has the molecular formula C20H34N3O5S+ and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID8804057
Molecular FormulaC20H34N3O5S+
Molecular Weight428.58 g/mol
Exact Mass428.22
IUPAC Name2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC[NH+](CC(=O)N(C(C)C)C(C)C)CC2)c1
InChIInChI=1S/C20H33N3O5S/c1-15(2)23(16(3)4)20(24)14-21-9-11-22(12-10-21)29(25,26)19-13-17(27-5)7-8-18(19)28-6/h7-8,13,15-16H,9-12,14H2,1-6H3/p+1
InChIKeyFKMIPYNBIJTISI-UHFFFAOYSA-O
XLogP0.24
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone
CID 8804014
N-tert-butyl-2-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide
CID 8843458
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(furan-2-yl)ethanone
CID 6963914
(2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8804115
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119692279
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8747655
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8804048
2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 8804176
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide (CID 8804057) is 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide is COc1ccc(OC)c(S(=O)(=O)N2CC[NH+](CC(=O)N(C(C)C)C(C)C)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is FKMIPYNBIJTISI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H33N3O5S/c1-15(2)23(16(3)4)20(24)14-21-9-11-22(12-10-21)29(25,26)19-13-17(27-5)7-8-18(19)28-6/h7-8,13,15-16H,9-12,14H2,1-6H3/p+1.
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 428.58 g/mol, XLogP of 0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 8804057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).