| CAS Number | 354812-16-1 |
| Catalog Number | AG00I71J(AGN-PC-0L8EYX) |
| Chemical Name | 3-Amino-5-(4-methoxyphenyl)-2-thiophenecarboxamide |
| IUPAC Name | 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide |
| InChI | InChI=1S/C12H12N2O2S/c1-16-8-4-2-7(3-5-8)10-6-9(13)11(17-10)12(14)15/h2-6H,13H2,1H3,(H2,14,15) |
| InChI Key | OEUITKOCUWEFOB-UHFFFAOYSA-N |
| MDL Number | MFCD00277422 |
| Molecular Formula | C12H12N2O2S |
| Molecular Weight | 248.3009 |
| SMILES | O=C(C1=C(N)C=C(C2=CC=C(OC)C=C2)S1)N |
| Synonyms | 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide,
AA43279,
3-amino-5-(4-methoxyphenyl)-2-thiophenecarboxamide,
354812-16-1,
3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide,
CHEMBL443571,
Maybridge1_003937,
AC1N7F2O,
Oprea1_060539,
SCHEMBL4097204,
HMS552K21,
ZINC81914,
OEUITKOCUWEFOB-UHFFFAOYSA-N,
BDBM50186614,
MFCD00277422,
AS-55018,
TZ000924,
FT-0750362,
2-Thiophenecarboxamide, 3-amino-5-(4-methoxyphenyl)-,
CID4278270,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.3g/mol |
| Monoisotopic Mass | 248.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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