[2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone

C17H20N2O5S — CID 120734197

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C17H20N2O5S/c1-23-14-6-4-3-5-12(14)13-11-18-9-10-19(13)17(20)15-7-8-16(24-15)25(2,21)22/h3-8,13,18H,9-11H2,1-2H3
InChIKeyBFHNJOUVVSPZCT-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.48
Rot. Bonds4

About [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone

[2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone (PubChem CID 120734197) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
PubChem CID120734197
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C17H20N2O5S/c1-23-14-6-4-3-5-12(14)13-11-18-9-10-19(13)17(20)15-7-8-16(24-15)25(2,21)22/h3-8,13,18H,9-11H2,1-2H3
InChIKeyBFHNJOUVVSPZCT-UHFFFAOYSA-N
XLogP1.48
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 120734776
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
CID 120733131
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730947
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120733023
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120734744
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732723
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone (CID 120734197) is [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone is COc1ccccc1C1CNCCN1C(=O)c1ccc(S(C)(=O)=O)o1.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone?
The InChIKey is BFHNJOUVVSPZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-23-14-6-4-3-5-12(14)13-11-18-9-10-19(13)17(20)15-7-8-16(24-15)25(2,21)22/h3-8,13,18H,9-11H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone has a molecular weight of 364.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 120734197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).