(4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone

C18H22N2O3S2 — CID 91950391

IUPAC(4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccccc2Cc2cccs2)CC1
InChIInChI=1S/C18H22N2O3S2/c1-2-25(22,23)20-11-9-19(10-12-20)18(21)17-8-4-3-6-15(17)14-16-7-5-13-24-16/h3-8,13H,2,9-12,14H2,1H3
InChIKeySEEDXFXINMMKSR-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.45
Rot. Bonds5

About (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone

(4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone (PubChem CID 91950391) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone
PubChem CID91950391
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccccc2Cc2cccs2)CC1
InChIInChI=1S/C18H22N2O3S2/c1-2-25(22,23)20-11-9-19(10-12-20)18(21)17-8-4-3-6-15(17)14-16-7-5-13-24-16/h3-8,13H,2,9-12,14H2,1H3
InChIKeySEEDXFXINMMKSR-UHFFFAOYSA-N
XLogP2.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 91950433
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-(thiophen-2-ylmethyl)phenyl]methanone
CID 91950349
(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 30832846
(2-chlorophenyl)-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798797
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 56571935
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
(2-chlorophenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365481
[4-(chloromethylsulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63664693
[4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110365412
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone (CID 91950391) is (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone is CCS(=O)(=O)N1CCN(C(=O)c2ccccc2Cc2cccs2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone?
The InChIKey is SEEDXFXINMMKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-2-25(22,23)20-11-9-19(10-12-20)18(21)17-8-4-3-6-15(17)14-16-7-5-13-24-16/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone?
(4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone has a molecular weight of 378.52 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone is sourced from PubChem (CID 91950391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).