CID 46677864
PubChem CID
46677864
Structure
Molecular Formula
Status
Non-live
Molecular Weight
473.6 g/mol
Dates
- Create:2010-07-23
Chemical Structure Depiction
N-[1-[3-(cyclopropylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
InChI=1S/C25H35N3O4S/c1-15(2)22(27-24(30)25-12-16-8-17(13-25)10-18(9-16)14-25)23(29)26-20-4-3-5-21(11-20)33(31,32)28-19-6-7-19/h3-5,11,15-19,22,28H,6-10,12-14H2,1-2H3,(H,26,29)(H,27,30)
RCHGXVTXPGFAAM-UHFFFAOYSA-N
CC(C)C(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2CC2)NC(=O)C34CC5CC(C3)CC(C5)C4
C25H35N3O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
473.6 g/mol
Property Name
XLogP3-AA
Property Value
3.9
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
8
Property Name
Exact Mass
Property Value
473.23482778 g/mol
Property Name
Monoisotopic Mass
Property Value
473.23482778 g/mol
Property Name
Topological Polar Surface Area
Property Value
113 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
835
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
CONTENTS