-
4-methoxy-N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-3-yl)ethoxy]phenyl}methyl)benzene-1-sulfonamide
-
ChemBase ID:
341575
-
Molecular Formular:
C25H29NO5S2
-
Molecular Mass:
487.63146
-
Monoisotopic Mass:
487.14871503
-
SMILES and InChIs
SMILES:
S(=O)(=O)(N(CC1OCCC1)Cc1cc(OCCc2cscc2)ccc1)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(c1)OCCc1cscc1)CC1CCCO1
InChI:
InChI=1S/C25H29NO5S2/c1-29-22-7-9-25(10-8-22)33(27,28)26(18-24-6-3-13-30-24)17-21-4-2-5-23(16-21)31-14-11-20-12-15-32-19-20/h2,4-5,7-10,12,15-16,19,24H,3,6,11,13-14,17-18H2,1H3
InChIKey:
GRDVYRUIAVZEOZ-UHFFFAOYSA-N
-
Cite this record
CBID:341575 http://www.chembase.cn/molecule-341575.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-methoxy-N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-3-yl)ethoxy]phenyl}methyl)benzene-1-sulfonamide
|
|
|
IUPAC Traditional name
|
4-methoxy-N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-3-yl)ethoxy]phenyl}methyl)benzenesulfonamide
|
|
|
Synonyms
|
4-methoxy-N-(tetrahydro-2-furanylmethyl)-N-{3-[2-(3-thienyl)ethoxy]benzyl}benzenesulfonamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
|
5
|
H Donor
|
0
|
LogD (pH = 5.5)
|
4.6479244
|
LogD (pH = 7.4)
|
4.6479244
|
Log P
|
4.6479244
|
Molar Refractivity
|
130.2764 cm3
|
Polarizability
|
51.258217 Å3
|
Polar Surface Area
|
65.07 Å2
|
Rotatable Bonds
|
10
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
6
|
H Donor
|
0
|
Log P
|
5.59
|
LOG S
|
-5.15
|
Polar Surface Area
|
65.07 Å2
|
Rotatable Bonds
|
9
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent