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89413-09-2 | 2-Thiopheneacetamide, N-[2-(1-cyclohexen-1-yl)ethyl]-
CAS No: 89413-09-2 Catalog No: AG00450X MDL No:
Product Description
Catalog Number:
AG00450X
Chemical Name:
2-Thiopheneacetamide, N-[2-(1-cyclohexen-1-yl)ethyl]-
CAS Number:
89413-09-2
Molecular Formula:
C14H19NOS
Molecular Weight:
249.3718
IUPAC Name:
N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide
InChI:
InChI=1S/C14H19NOS/c16-14(11-13-7-4-10-17-13)15-9-8-12-5-2-1-3-6-12/h4-5,7,10H,1-3,6,8-9,11H2,(H,15,16)
InChI Key:
PMJJYCAAQSMFQR-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccs1)NCCC1=CCCCC1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.372g/mol
Monoisotopic Mass:
249.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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