N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide

C20H26N3O5S+ — CID 3480604

IUPACN-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C20H25N3O5S/c1-27-17-6-8-19(9-7-17)29(25,26)23-12-10-22(11-13-23)15-20(24)21-16-4-3-5-18(14-16)28-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1
InChIKeyQORAQONQHDGBLT-UHFFFAOYSA-O
MW420.51 g/mol
LogP0.23
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide

N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide (PubChem CID 3480604) has the molecular formula C20H26N3O5S+ and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
PubChem CID3480604
Molecular FormulaC20H26N3O5S+
Molecular Weight420.51 g/mol
Exact Mass420.16
IUPAC NameN-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C20H25N3O5S/c1-27-17-6-8-19(9-7-17)29(25,26)23-12-10-22(11-13-23)15-20(24)21-16-4-3-5-18(14-16)28-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1
InChIKeyQORAQONQHDGBLT-UHFFFAOYSA-O
XLogP0.23
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-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-(azocan-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583684
2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 3567322
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(3-methoxyphenyl)acetamide
CID 9259161
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 110356021
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
methyl 4-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]butanoate
CID 8687510
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 2655575
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide
CID 9258007
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393645

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide (CID 3480604) is N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide is COc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The InChIKey is QORAQONQHDGBLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O5S/c1-27-17-6-8-19(9-7-17)29(25,26)23-12-10-22(11-13-23)15-20(24)21-16-4-3-5-18(14-16)28-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1.
What are the key properties of N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 3480604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).