CID 52361272
PubChem CID
52361272
Structure
Molecular Formula
Status
Non-live
Molecular Weight
381.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2R)-2-acetamido-2-cyclopentyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
InChI=1S/C18H27N3O4S/c1-12-9-10-15(26(24,25)21(3)4)11-16(12)20-18(23)17(19-13(2)22)14-7-5-6-8-14/h9-11,14,17H,5-8H2,1-4H3,(H,19,22)(H,20,23)/t17-/m1/s1
FXERBIFEBAHPGW-QGZVFWFLSA-N
CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@@H](C2CCCC2)NC(=O)C
C18H27N3O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
381.5 g/mol
Property Name
XLogP3-AA
Property Value
1.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
381.17222752 g/mol
Property Name
Monoisotopic Mass
Property Value
381.17222752 g/mol
Property Name
Topological Polar Surface Area
Property Value
104 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
608
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