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Cinitapride Impurity 8

CAT: 1299-RM-C231008-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C231008-02Size:25 mg
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CAS Number
2280088-44-8
Synonyms
4-amino-2-ethoxy-N- (1- (methylsulfonyl) piperidin-4-yl) -5-nitrobenzamide
Molecular Formula
C15H22N4O6S
Molecular Weight
386.42
Target Alternative Name
Cinitapride
Product Name Synonym
4-amino-2-ethoxy-N- (1- (methylsulfonyl) piperidin-4-yl) -5-nitrobenzamide

Chemical Information

4-amino-2-ethoxy-N-(1-(methylsulfonyl)piperidin-4-yl)-5-nitrobenzamide
CAS Number2280088-44-8
PubChem CID148298050
IUPAC Name4-amino-2-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)-5-nitrobenzamide
Molecular FormulaC15H22N4O6S
Molecular Weight386.4
XLogP1.1
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity609
SMILES
CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-])N
InChI
InChI=1S/C15H22N4O6S/c1-3-25-14-9-12(16)13(19(21)22)8-11(14)15(20)17-10-4-6-18(7-5-10)26(2,23)24/h8-10H,3-7,16H2,1-2H3,(H,17,20)
InChIKey
KYPQAXWQIZMONJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-amino-2-ethoxy-N-(1-(methylsulfonyl)piperidin-4-yl)-5-nitrobenzamide
CAS: 2280088-44-8
CID: 148298050
Formula: C15H22N4O6S
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass386.12600561
Monoisotopic Mass386.12600561
Topological Polar Surface Area156 Ų
Heavy Atom Count26
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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