(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone

C16H24N2O4S — CID 110804678

IUPAC(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cc1C
InChIInChI=1S/C16H24N2O4S/c1-4-22-15-7-6-14(12-13(15)3)16(19)17-8-10-18(11-9-17)23(20,21)5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyGFRMEXUMNXWSAU-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.50
Rot. Bonds5

About (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone

(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone (PubChem CID 110804678) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
PubChem CID110804678
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cc1C
InChIInChI=1S/C16H24N2O4S/c1-4-22-15-7-6-14(12-13(15)3)16(19)17-8-10-18(11-9-17)23(20,21)5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyGFRMEXUMNXWSAU-UHFFFAOYSA-N
XLogP1.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803973
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110802331
(3-chloro-4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804844
(3,4-diethoxyphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674291
1-[4-(4-ethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 110806705
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
1-[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110815280
(3-chloro-4-propan-2-yloxyphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 110804683
(4-ethoxy-3-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809897
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814495
(4-ethoxy-3-methylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86938536
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone (CID 110804678) is (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone is CCOc1ccc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cc1C.
What is the InChIKey of (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone?
The InChIKey is GFRMEXUMNXWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-22-15-7-6-14(12-13(15)3)16(19)17-8-10-18(11-9-17)23(20,21)5-2/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone?
(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone has a molecular weight of 340.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 110804678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).