1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine

C17H22N2O3S2 — CID 90137728

IUPAC1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCCc1csc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C17H22N2O3S2/c1-3-14-12-17(23-13-14)18-8-10-19(11-9-18)24(20,21)16-6-4-15(22-2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyFROMJVFMYMYPHI-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine

1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 90137728) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID90137728
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Name1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCCc1csc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C17H22N2O3S2/c1-3-14-12-17(23-13-14)18-8-10-19(11-9-18)24(20,21)16-6-4-15(22-2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyFROMJVFMYMYPHI-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
4-[(4-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(4-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 161031178
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine (CID 90137728) is 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine is CCc1csc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1.
What is the InChIKey of 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is FROMJVFMYMYPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-3-14-12-17(23-13-14)18-8-10-19(11-9-18)24(20,21)16-6-4-15(22-2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine?
1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 366.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 90137728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).