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1550008-55-3 | 2-Propenamide, 3-(3-chlorophenyl)-N-[2-[methyl(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)amino]-2-oxoethyl]-, (2E)-
CAS No: 1550008-55-3 Catalog No: AG001NJ8 MDL No:
Product Description
Catalog Number:
AG001NJ8
Chemical Name:
2-Propenamide, 3-(3-chlorophenyl)-N-[2-[methyl(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)amino]-2-oxoethyl]-, (2E)-
CAS Number:
1550008-55-3
Molecular Formula:
C17H21ClN2O4S
Molecular Weight:
384.8776
IUPAC Name:
(E)-3-(3-chlorophenyl)-N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]prop-2-enamide
InChI:
InChI=1S/C17H21ClN2O4S/c1-20(15-7-9-25(23,24)10-8-15)17(22)12-19-16(21)6-5-13-3-2-4-14(18)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,21)/b6-5+
InChI Key:
AJCDZIDKYKCOMZ-AATRIKPKSA-N
SMILES:
O=C(NCC(=O)N(C1CCS(=O)(=O)CC1)C)/C=C/c1cccc(c1)Cl
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
384.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.875g/mol
Monoisotopic Mass:
384.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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