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CID 52361304

PubChem CID
52361304
Structure
CID 52361304_small.png
Molecular Formula
Status
Non-live
Molecular Weight
367.5 g/mol
Dates
  • Create:
    2011-05-20

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 52361304.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-acetamido-2-cyclopentyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2.1.2 InChI

InChI=1S/C17H25N3O4S/c1-12(21)18-16(13-6-4-5-7-13)17(22)19-14-8-10-15(11-9-14)25(23,24)20(2)3/h8-11,13,16H,4-7H2,1-3H3,(H,18,21)(H,19,22)/t16-/m0/s1

2.1.3 InChIKey

KYWXLRGONJCIQB-INIZCTEOSA-N

2.1.4 SMILES

CC(=O)N[C@@H](C1CCCC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C

2.2 Molecular Formula

C17H25N3O4S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
367.5 g/mol
Property Name
XLogP3-AA
Property Value
1.5
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
367.15657746 g/mol
Property Name
Monoisotopic Mass
Property Value
367.15657746 g/mol
Property Name
Topological Polar Surface Area
Property Value
104 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
571
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

5 Information Sources

CONTENTS