[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone

C20H24N2O4S — CID 9415328

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C20H24N2O4S/c1-3-26-19-7-5-4-6-18(19)21-12-14-22(15-13-21)20(23)16-8-10-17(11-9-16)27(2,24)25/h4-11H,3,12-15H2,1-2H3
InChIKeyLNCGUPCJZRNAFS-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.45
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone (PubChem CID 9415328) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
PubChem CID9415328
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C20H24N2O4S/c1-3-26-19-7-5-4-6-18(19)21-12-14-22(15-13-21)20(23)16-8-10-17(11-9-16)27(2,24)25/h4-11H,3,12-15H2,1-2H3
InChIKeyLNCGUPCJZRNAFS-UHFFFAOYSA-N
XLogP2.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
(2-chloro-5-methylsulfonylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415357
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 7922217
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 8966514

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone (CID 9415328) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone is CCOc1ccccc1N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is LNCGUPCJZRNAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-26-19-7-5-4-6-18(19)21-12-14-22(15-13-21)20(23)16-8-10-17(11-9-16)27(2,24)25/h4-11H,3,12-15H2,1-2H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 388.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 9415328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).