CID 51272058
PubChem CID
51272058
Structure
Molecular Formula
Status
Non-live
Molecular Weight
381.5 g/mol
Dates
- Create:2011-05-03
Chemical Structure Depiction
2-acetamido-2-cyclopentyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
InChI=1S/C18H27N3O4S/c1-12(2)21-26(24,25)16-10-8-15(9-11-16)20-18(23)17(19-13(3)22)14-6-4-5-7-14/h8-12,14,17,21H,4-7H2,1-3H3,(H,19,22)(H,20,23)
MXCYQBXGPWKPNL-UHFFFAOYSA-N
CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(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
2.1
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
381.17222752 g/mol
Property Name
Monoisotopic Mass
Property Value
381.17222752 g/mol
Property Name
Topological Polar Surface Area
Property Value
113 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
586
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
Old substance
Old substance
CONTENTS