1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine

C21H26N2O3S — CID 17486378

IUPAC1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESCOc1ccc(CCN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-26-21-9-7-20(8-10-21)11-13-22-14-16-23(17-15-22)27(24,25)18-12-19-5-3-2-4-6-19/h2-10,12,18H,11,13-17H2,1H3/b18-12+
InChIKeyHPYPRJOPSOUDHV-LDADJPATSA-N
MW386.52 g/mol
LogP2.86
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine

1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine (PubChem CID 17486378) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
PubChem CID17486378
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESCOc1ccc(CCN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-26-21-9-7-20(8-10-21)11-13-22-14-16-23(17-15-22)27(24,25)18-12-19-5-3-2-4-6-19/h2-10,12,18H,11,13-17H2,1H3/b18-12+
InChIKeyHPYPRJOPSOUDHV-LDADJPATSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine
CID 1192953
1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 8694199
1-(4-methoxyphenyl)-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazole-2-thione
CID 17477615
N-[(4-methoxyphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 7959643
2-(3-methoxyphenyl)-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 78568583
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
(2,4-dimethoxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 9496766
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 25345245
[4-[(3-methoxyphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol
CID 26327587
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 113074376

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine (CID 17486378) is 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine is COc1ccc(CCN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The InChIKey is HPYPRJOPSOUDHV-LDADJPATSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-26-21-9-7-20(8-10-21)11-13-22-14-16-23(17-15-22)27(24,25)18-12-19-5-3-2-4-6-19/h2-10,12,18H,11,13-17H2,1H3/b18-12+.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine has a molecular weight of 386.52 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine is sourced from PubChem (CID 17486378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).