Home > Compound List > Compound details
 molecular structure
click picture or here to close

N-({1-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]piperidin-3-yl}methyl)furan-2-carboxamide

ChemBase ID: 340897
Molecular Formular: C18H20N2O3S
Molecular Mass: 344.428
Monoisotopic Mass: 344.11946351
SMILES and InChIs

SMILES:
N1(C(=O)/C=C/c2sccc2)CC(CNC(=O)c2occc2)CCC1
Canonical SMILES:
O=C(N1CCCC(C1)CNC(=O)c1ccco1)/C=C/c1cccs1
InChI:
InChI=1S/C18H20N2O3S/c21-17(8-7-15-5-3-11-24-15)20-9-1-4-14(13-20)12-19-18(22)16-6-2-10-23-16/h2-3,5-8,10-11,14H,1,4,9,12-13H2,(H,19,22)/b8-7+
InChIKey:
STTPWYILJCSBLD-BQYQJAHWSA-N

Cite this record

CBID:340897 http://www.chembase.cn/molecule-340897.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-({1-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]piperidin-3-yl}methyl)furan-2-carboxamide
IUPAC Traditional name
N-({1-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]piperidin-3-yl}methyl)furan-2-carboxamide
Synonyms
N-({1-[(2E)-3-(2-thienyl)-2-propenoyl]-3-piperidinyl}methyl)-2-furamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13944951 external link Add to cart
Data Source Data ID Price
ChemBridge
13944951 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Log P 1.87  LOG S -5.04 
Polar Surface Area 62.55 Å2 Rotatable Bonds
H Acceptors H Donor
Molar Refractivity 94.1716 cm3 Polarizability 35.20186 Å3
Polar Surface Area 62.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 14.0257635 
H Acceptors H Donor
LogD (pH = 5.5) 2.1359792  LogD (pH = 7.4) 2.13598 
Log P 2.1359801 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle