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N-ethyl-2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(oxolan-2-ylmethyl)benzamide

ChemBase ID: 340782
Molecular Formular: C20H30N2O5S
Molecular Mass: 410.5276
Monoisotopic Mass: 410.18754307
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCC(Oc2c(C(=O)N(CC3OCCC3)CC)cccc2)CC1)C
Canonical SMILES:
CCN(C(=O)c1ccccc1OC1CCN(CC1)S(=O)(=O)C)CC1CCCO1
InChI:
InChI=1S/C20H30N2O5S/c1-3-21(15-17-7-6-14-26-17)20(23)18-8-4-5-9-19(18)27-16-10-12-22(13-11-16)28(2,24)25/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3
InChIKey:
BYZDWHXPGBQPQX-UHFFFAOYSA-N

Cite this record

CBID:340782 http://www.chembase.cn/molecule-340782.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(oxolan-2-ylmethyl)benzamide
IUPAC Traditional name
N-ethyl-2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(oxolan-2-ylmethyl)benzamide
Synonyms
N-ethyl-2-{[1-(methylsulfonyl)-4-piperidinyl]oxy}-N-(tetrahydro-2-furanylmethyl)benzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13928014 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.6377032  LogD (pH = 7.4) 0.63770324 
Log P 0.63770324  Molar Refractivity 107.7196 cm3
Polarizability 42.37482 Å3 Polar Surface Area 76.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.49  LOG S -2.81 
Polar Surface Area 76.15 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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