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N-(3-{[3-(naphthalene-2-carbonyl)piperidin-1-yl]sulfonyl}phenyl)acetamide

ChemBase ID: 340851
Molecular Formular: C24H24N2O4S
Molecular Mass: 436.52336
Monoisotopic Mass: 436.14567826
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CC(C(=O)c2cc3c(cc2)cccc3)CCC1)c1cc(NC(=O)C)ccc1
Canonical SMILES:
CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC(C1)C(=O)c1ccc2c(c1)cccc2
InChI:
InChI=1S/C24H24N2O4S/c1-17(27)25-22-9-4-10-23(15-22)31(29,30)26-13-5-8-21(16-26)24(28)20-12-11-18-6-2-3-7-19(18)14-20/h2-4,6-7,9-12,14-15,21H,5,8,13,16H2,1H3,(H,25,27)
InChIKey:
ULIREMJFKZTXEZ-UHFFFAOYSA-N

Cite this record

CBID:340851 http://www.chembase.cn/molecule-340851.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-{[3-(naphthalene-2-carbonyl)piperidin-1-yl]sulfonyl}phenyl)acetamide
IUPAC Traditional name
N-{3-[3-(naphthalene-2-carbonyl)piperidin-1-ylsulfonyl]phenyl}acetamide
Synonyms
N-(3-{[3-(2-naphthoyl)-1-piperidinyl]sulfonyl}phenyl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13937312 external link Add to cart
Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
LOG S -5.68  Polar Surface Area 83.55 Å2
Rotatable Bonds H Acceptors
H Donor Log P 4.17 
Molar Refractivity 121.3675 cm3 Polarizability 47.946167 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 13.780894 
H Acceptors H Donor
LogD (pH = 5.5) 3.237073  LogD (pH = 7.4) 3.2370727 
Log P 3.237073 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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