CID 52361400
PubChem CID
52361400
Structure
Molecular Formula
Status
Non-live
Molecular Weight
395.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2R)-2-acetamido-N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopentylacetamide
InChI=1S/C19H29N3O4S/c1-13(23)20-17(14-8-5-6-9-14)18(24)21-15-10-7-11-16(12-15)27(25,26)22-19(2,3)4/h7,10-12,14,17,22H,5-6,8-9H2,1-4H3,(H,20,23)(H,21,24)/t17-/m1/s1
LECUEIQJVDMEEW-QGZVFWFLSA-N
CC(=O)N[C@H](C1CCCC1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C
C19H29N3O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
395.5 g/mol
Property Name
XLogP3-AA
Property Value
2.3
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
395.18787759 g/mol
Property Name
Monoisotopic Mass
Property Value
395.18787759 g/mol
Property Name
Topological Polar Surface Area
Property Value
113 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
630
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
CONTENTS