Home Carboxys methyl 3-(2-(isopropylamino)propanamido)-4-methylthiophene-2-carboxylate

methyl 3-(2-(isopropylamino)propanamido)-4-methylthiophene-2-carboxylate

CAS No.:
1796888-45-3
Catalog Number:
AG01BU8K
Molecular Formula:
C13H20N2O3S
Molecular Weight:
284.3745
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Product Description
Catalog Number:
AG01BU8K
Chemical Name:
methyl 3-(2-(isopropylamino)propanamido)-4-methylthiophene-2-carboxylate
CAS Number:
1796888-45-3
Molecular Formula:
C13H20N2O3S
Molecular Weight:
284.3745
MDL Number:
MFCD27665518
IUPAC Name:
methyl 4-methyl-3-[2-(propan-2-ylamino)propanoylamino]thiophene-2-carboxylate
InChI:
InChI=1S/C13H20N2O3S/c1-7(2)14-9(4)12(16)15-10-8(3)6-19-11(10)13(17)18-5/h6-7,9,14H,1-5H3,(H,15,16)
InChI Key:
MHGQFYHUUMZHET-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1NC(=O)C(NC(C)C)C)C
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.119g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.374g/mol
Monoisotopic Mass:
284.119g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties