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N-(furan-3-ylmethyl)-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide

ChemBase ID: 340522
Molecular Formular: C18H22N2O5S
Molecular Mass: 378.44268
Monoisotopic Mass: 378.12494281
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCC(Oc2c(C(=O)NCc3cocc3)cccc2)CC1)C
Canonical SMILES:
O=C(c1ccccc1OC1CCN(CC1)S(=O)(=O)C)NCc1cocc1
InChI:
InChI=1S/C18H22N2O5S/c1-26(22,23)20-9-6-15(7-10-20)25-17-5-3-2-4-16(17)18(21)19-12-14-8-11-24-13-14/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,19,21)
InChIKey:
JQSNDHITIXPMAX-UHFFFAOYSA-N

Cite this record

CBID:340522 http://www.chembase.cn/molecule-340522.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(furan-3-ylmethyl)-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
IUPAC Traditional name
N-(furan-3-ylmethyl)-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
Synonyms
N-(3-furylmethyl)-2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.995926  H Acceptors
H Donor LogD (pH = 5.5) 0.50334877 
LogD (pH = 7.4) 0.5033487  Log P 0.5033488 
Molar Refractivity 96.9456 cm3 Polarizability 37.839306 Å3
Polar Surface Area 88.85 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.81  LOG S -3.5 
Polar Surface Area 88.85 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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