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Sufentanil Impurity D

CAT: 1596-AR-S09291-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S09291-06Size:250 Units
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CAS Number
2250243-42-4
Synonyms
N-[4- (Methoxymethyl) -1-[2- (2-thienyl) ethyl]-4-piperidinyl]-N-phenylacetamide
Molecular Formula
C21H28N2O2S
Molecular Weight
372.53
API Name
Sufentanil

Chemical Information

N-(4-(methoxymethyl)-1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)-N-phenylacetamide
CAS Number2250243-42-4
PubChem CID169443845
IUPAC NameN-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylacetamide
Molecular FormulaC21H28N2O2S
Molecular Weight372.5
XLogP3.5
Topological Polar Surface Area61
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity445
SMILES
CC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC
InChI
InChI=1S/C21H28N2O2S/c1-18(24)23(19-7-4-3-5-8-19)21(17-25-2)11-14-22(15-12-21)13-10-20-9-6-16-26-20/h3-9,16H,10-15,17H2,1-2H3
InChIKey
ZEIIYLDEEDIOJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(methoxymethyl)-1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)-N-phenylacetamide
CAS: 2250243-42-4
CID: 169443845
Formula: C21H28N2O2S
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass372.18714931
Monoisotopic Mass372.18714931
Topological Polar Surface Area61 Ų
Heavy Atom Count26
Formal Charge0
Complexity445
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