[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone

C26H28N2O5S — CID 26766046

IUPAC[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3COc3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O5S/c1-2-32-23-12-14-24(15-13-23)34(30,31)28-18-16-27(17-19-28)26(29)25-11-7-6-8-21(25)20-33-22-9-4-3-5-10-22/h3-15H,2,16-20H2,1H3
InChIKeyXEGBHEKZZUNWQZ-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.81
Rot. Bonds8

About [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone

[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone (PubChem CID 26766046) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
PubChem CID26766046
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3COc3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O5S/c1-2-32-23-12-14-24(15-13-23)34(30,31)28-18-16-27(17-19-28)26(29)25-11-7-6-8-21(25)20-33-22-9-4-3-5-10-22/h3-15H,2,16-20H2,1H3
InChIKeyXEGBHEKZZUNWQZ-UHFFFAOYSA-N
XLogP3.81
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 7921506
3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 55755546
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16594075
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9326834
(2,6-dimethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 108567799
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646296
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 56533667
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 2496383

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone?
The IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone (CID 26766046) is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone.
What is the SMILES notation for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone?
The canonical SMILES for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3COc3ccccc3)CC2)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone?
The InChIKey is XEGBHEKZZUNWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-2-32-23-12-14-24(15-13-23)34(30,31)28-18-16-27(17-19-28)26(29)25-11-7-6-8-21(25)20-33-22-9-4-3-5-10-22/h3-15H,2,16-20H2,1H3.
What are the key properties of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone?
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone has a molecular weight of 480.59 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone is sourced from PubChem (CID 26766046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).