CID 47335320
PubChem CID
47335320
Structure
Molecular Formula
Status
Non-live
Molecular Weight
282.40 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
2-methyl-N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
InChI=1S/C14H22N2O2S/c1-5-10(2)14(18)15-9-13(17)16(4)11(3)12-7-6-8-19-12/h6-8,10-11H,5,9H2,1-4H3,(H,15,18)
KLARTKAKMAKSLC-UHFFFAOYSA-N
CCC(C)C(=O)NCC(=O)N(C)C(C)C1=CC=CS1
C14H22N2O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
282.40 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
282.14019912 g/mol
Property Name
Monoisotopic Mass
Property Value
282.14019912 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
323
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
2
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
CONTENTS