cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

C17H24N2O4S — CID 2664075

IUPACcyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-2-23-15-6-8-16(9-7-15)24(21,22)19-12-10-18(11-13-19)17(20)14-4-3-5-14/h6-9,14H,2-5,10-13H2,1H3
InChIKeyJICRDFOKRMJANW-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.72
Rot. Bonds5

About cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2664075) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2664075
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namecyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-2-23-15-6-8-16(9-7-15)24(21,22)19-12-10-18(11-13-19)17(20)14-4-3-5-14/h6-9,14H,2-5,10-13H2,1H3
InChIKeyJICRDFOKRMJANW-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108568605
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
N-cyclohexyl-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide
CID 8745095
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8623270
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243
cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone
CID 110817546
1-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110796761
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 2664075) is cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is JICRDFOKRMJANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-23-15-6-8-16(9-7-15)24(21,22)19-12-10-18(11-13-19)17(20)14-4-3-5-14/h6-9,14H,2-5,10-13H2,1H3.
What are the key properties of cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 352.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2664075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).