| CAS Number | 554440-03-8 |
| Catalog Number | AG019HVR |
| Chemical Name | 2-(2-Chloroacetamido)-5-phenylthiophene-3-carboxamide |
| IUPAC Name | 2-[(2-chloroacetyl)amino]-5-phenylthiophene-3-carboxamide |
| InChI | InChI=1S/C13H11ClN2O2S/c14-7-11(17)16-13-9(12(15)18)6-10(19-13)8-4-2-1-3-5-8/h1-6H,7H2,(H2,15,18)(H,16,17) |
| InChI Key | ZOSCXRZFEXJXHZ-UHFFFAOYSA-N |
| MDL Number | MFCD03988755 |
| Molecular Formula | C13H11ClN2O2S |
| Molecular Weight | 294.7566 |
| SMILES | NC(C1=C(NC(CCl)=O)SC(C2=CC=CC=C2)=C1)=O |
| Synonyms | 2-(2-chloroacetamido)-5-phenylthiophene-3-carboxamide,
554440-03-8,
2-(2-Chloro-acetylamino)-5-phenyl-thiophene-3-carboxylic acid amide,
2-(2-chloroacetylamino)-5-phenylthiophene-3-carboxamide,
AC1M74AP,
AC1Q4Z7Y,
CTK6H5768,
ZINC3319645,
SBB038692,
AKOS000266924,
MCULE-2969047905,
NE36815,
UPCMLD0ENAT0517-6128:001,
ST50211475,
EN300-04849,
2-[(2-chloroacetyl)amino]-5-phenylthiophene-3-carboxamide,
ZINC03319645,
CID2435375,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.753g/mol |
| Monoisotopic Mass | 294.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number