Home Sulfos Ethyl (4-(2-(3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamido)ethyl)phenyl)sulfonylcarbamate

Ethyl (4-(2-(3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamido)ethyl)phenyl)sulfonylcarbamate

CAS No.:
318515-70-7
Catalog Number:
AG003PZE
Molecular Formula:
C19H25N3O6S
Molecular Weight:
423.4833
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Product Description
Catalog Number:
AG003PZE
Chemical Name:
Ethyl (4-(2-(3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamido)ethyl)phenyl)sulfonylcarbamate
CAS Number:
318515-70-7
Molecular Formula:
C19H25N3O6S
Molecular Weight:
423.4833
MDL Number:
MFCD02955394
IUPAC Name:
ethyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate
InChI:
InChI=1S/C19H25N3O6S/c1-4-16-13(3)12-22(17(16)23)18(24)20-11-10-14-6-8-15(9-7-14)29(26,27)21-19(25)28-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25)
InChI Key:
QPESVQUXCCFSRB-UHFFFAOYSA-N
SMILES:
CCOC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1CC(=C(C1=O)CC)C
Properties
Complexity:
763  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.146g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
423.484g/mol
Monoisotopic Mass:
423.146g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties