CID 30544920
PubChem CID
30544920
Structure
Molecular Formula
Status
Non-live
Molecular Weight
487.6 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
InChI=1S/C25H33N3O5S/c1-4-5-14-28-23(29)15-22(24(28)18-10-12-21(33-3)13-11-18)25(30)27-16-19-8-6-7-9-20(19)17-34(31,32)26-2/h6-13,22,24,26H,4-5,14-17H2,1-3H3,(H,27,30)/t22-,24-/m1/s1
WKHBJYFPMDXSCS-ISKFKSNPSA-N
CCCCN1[C@@H]([C@@H](CC1=O)C(=O)NCC2=CC=CC=C2CS(=O)(=O)NC)C3=CC=C(C=C3)OC
C25H33N3O5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
487.6 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
11
Property Name
Exact Mass
Property Value
487.21409234 g/mol
Property Name
Monoisotopic Mass
Property Value
487.21409234 g/mol
Property Name
Topological Polar Surface Area
Property Value
113 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
776
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS