2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide

C16H24BrN3O5S — CID 30808103

IUPAC2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)CC1
InChIInChI=1S/C16H24BrN3O5S/c1-4-18-16(21)11-19-5-7-20(8-6-19)26(22,23)15-10-14(25-3)13(24-2)9-12(15)17/h9-10H,4-8,11H2,1-3H3,(H,18,21)
InChIKeyTYZJMQRUBAKKKM-UHFFFAOYSA-N
MW450.36 g/mol
LogP0.91
Rot. Bonds7

About 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide

2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide (PubChem CID 30808103) has the molecular formula C16H24BrN3O5S and a molecular weight of 450.36 g/mol. Its IUPAC name is 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
PubChem CID30808103
Molecular FormulaC16H24BrN3O5S
Molecular Weight450.36 g/mol
Exact Mass449.06
IUPAC Name2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)CC1
InChIInChI=1S/C16H24BrN3O5S/c1-4-18-16(21)11-19-5-7-20(8-6-19)26(22,23)15-10-14(25-3)13(24-2)9-12(15)17/h9-10H,4-8,11H2,1-3H3,(H,18,21)
InChIKeyTYZJMQRUBAKKKM-UHFFFAOYSA-N
XLogP0.91
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine
CID 27658453
N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
CID 8687545
2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
CID 30872696
2-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 81396910
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128586
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8804048
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24556041
3-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzenesulfonyl fluoride
CID 166407090
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
2-[4-[3-(dimethylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566418
N-cyclopropyl-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide (CID 30808103) is 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)CC1.
What is the InChIKey of 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide?
The InChIKey is TYZJMQRUBAKKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O5S/c1-4-18-16(21)11-19-5-7-20(8-6-19)26(22,23)15-10-14(25-3)13(24-2)9-12(15)17/h9-10H,4-8,11H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide?
2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide has a molecular weight of 450.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 30808103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).