CID 41752139
PubChem CID
41752139
Structure
Molecular Formula
Status
Non-live
Molecular Weight
388.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
3,4-dimethyl-N-[2-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide
InChI=1S/C20H24N2O4S/c1-13-5-6-17(11-14(13)2)20(24)21-12-19(23)22-15(3)16-7-9-18(10-8-16)27(4,25)26/h5-11,15H,12H2,1-4H3,(H,21,24)(H,22,23)/t15-/m1/s1
BFGMRFHMGBOTHD-OAHLLOKOSA-N
CC1=C(C=C(C=C1)C(=O)NCC(=O)N[C@H](C)C2=CC=C(C=C2)S(=O)(=O)C)C
C20H24N2O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
388.5 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
388.14567842 g/mol
Property Name
Monoisotopic Mass
Property Value
388.14567842 g/mol
Property Name
Topological Polar Surface Area
Property Value
101 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
620
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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