1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone

C18H28N2O4S — CID 108569920

IUPAC1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2CC)CC1
InChIInChI=1S/C18H28N2O4S/c1-3-5-14-25(22,23)20-12-10-19(11-13-20)18(21)15-24-17-9-7-6-8-16(17)4-2/h6-9H,3-5,10-15H2,1-2H3
InChIKeyLUGBFRYOFIGBKM-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.90
Rot. Bonds8

About 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone

1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone (PubChem CID 108569920) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
PubChem CID108569920
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2CC)CC1
InChIInChI=1S/C18H28N2O4S/c1-3-5-14-25(22,23)20-12-10-19(11-13-20)18(21)15-24-17-9-7-6-8-16(17)4-2/h6-9H,3-5,10-15H2,1-2H3
InChIKeyLUGBFRYOFIGBKM-UHFFFAOYSA-N
XLogP1.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone
CID 110366193
1-(4-butylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 110364897
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-ethylphenoxy)ethanone
CID 2710685
1-(4-butylsulfonylpiperazin-1-yl)-4-(2-methylphenoxy)butan-1-one
CID 108569153
2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569933
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798756
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569944
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
2-(2-aminophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 61026528

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone?
The IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone (CID 108569920) is 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone?
The canonical SMILES for 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone is CCCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2CC)CC1.
What is the InChIKey of 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone?
The InChIKey is LUGBFRYOFIGBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-5-14-25(22,23)20-12-10-19(11-13-20)18(21)15-24-17-9-7-6-8-16(17)4-2/h6-9H,3-5,10-15H2,1-2H3.
What are the key properties of 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone?
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone has a molecular weight of 368.50 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone is sourced from PubChem (CID 108569920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).