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861451-49-2 | 3-Thiophenecarboxamide,2-amino-4-[4-(1,1-dimethylethyl)phenyl]-5-methyl-
CAS No: 861451-49-2 Catalog No: AG004TJZ MDL No:MFCD02854937
Product Description
Catalog Number:
AG004TJZ
Chemical Name:
3-Thiophenecarboxamide,2-amino-4-[4-(1,1-dimethylethyl)phenyl]-5-methyl-
CAS Number:
861451-49-2
Molecular Formula:
C16H20N2OS
Molecular Weight:
288.4078
MDL Number:
MFCD02854937
IUPAC Name:
2-amino-4-(4-tert-butylphenyl)-5-methylthiophene-3-carboxamide
InChI:
InChI=1S/C16H20N2OS/c1-9-12(13(14(17)19)15(18)20-9)10-5-7-11(8-6-10)16(2,3)4/h5-8H,18H2,1-4H3,(H2,17,19)
InChI Key:
VRUBXDSBLQGDJU-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1c1ccc(cc1)C(C)(C)C)C(=O)N)N
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.13g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.409g/mol
Monoisotopic Mass:
288.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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