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CID 51272078

PubChem CID
51272078
Structure
CID 51272078_small.png
Molecular Formula
Status
Non-live
Molecular Weight
395.5 g/mol
Dates
  • Create:
    2011-05-03

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51272078.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-acetamido-2-cyclopentyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide

2.1.2 InChI

InChI=1S/C19H29N3O4S/c1-13(2)22(4)27(25,26)17-11-9-16(10-12-17)21-19(24)18(20-14(3)23)15-7-5-6-8-15/h9-13,15,18H,5-8H2,1-4H3,(H,20,23)(H,21,24)

2.1.3 InChIKey

AFXIIDAUVLZCRF-UHFFFAOYSA-N

2.1.4 SMILES

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C2CCCC2)NC(=O)C

2.2 Molecular Formula

C19H29N3O4S

3 Chemical and Physical Properties

3.1 Computed Properties

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
2
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
104 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
615
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
1
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