2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide

C20H24BrN3O3S — CID 31373840

IUPAC2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1
InChIInChI=1S/C20H24BrN3O3S/c1-2-16-5-3-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)28(26,27)19-8-4-6-17(21)14-19/h3-8,13-14H,2,9-12,15H2,1H3,(H,22,25)
InChIKeyAZXWLTXHCYRPQC-UHFFFAOYSA-N
MW466.40 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide

2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 31373840) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID31373840
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC Name2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1
InChIInChI=1S/C20H24BrN3O3S/c1-2-16-5-3-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)28(26,27)19-8-4-6-17(21)14-19/h3-8,13-14H,2,9-12,15H2,1H3,(H,22,25)
InChIKeyAZXWLTXHCYRPQC-UHFFFAOYSA-N
XLogP2.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide
CID 40751750
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55354494
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46801559
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55910713
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 42913990
2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 19259569
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide (CID 31373840) is 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1.
What is the InChIKey of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is AZXWLTXHCYRPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-2-16-5-3-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)28(26,27)19-8-4-6-17(21)14-19/h3-8,13-14H,2,9-12,15H2,1H3,(H,22,25).
What are the key properties of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide?
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 466.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 31373840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).