| CAS Number | 565207-41-2 |
| Catalog Number | AG019I7A |
| Chemical Name | Ethyl 2-(2-chloroacetamido)-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate |
| IUPAC Name | ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate |
| InChI | InChI=1S/C12H15ClN2O4S/c1-4-19-12(18)8-6(2)9(10(17)14-3)20-11(8)15-7(16)5-13/h4-5H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | VUWQJUYSHKIPDI-UHFFFAOYSA-N |
| MDL Number | MFCD04610466 |
| Molecular Formula | C12H15ClN2O4S |
| Molecular Weight | 318.7765 |
| SMILES | CCOC(C1=C(NC(CCl)=O)SC(C(NC)=O)=C1C)=O |
| Synonyms | ethyl 2-(2-chloroacetamido)-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate,
565207-41-2,
2-(2-Chloro-acetylamino)-4-methyl-5-methylcarbamoyl-thiophene-3-carboxylic acid ethyl ester,
AC1M6QXN,
AC1Q33EM,
CTK6F5499,
ZINC3337421,
SBB078058,
AKOS001061433,
MCULE-3729077557,
NE17804,
UPCMLD0ENAT0518-3068:001,
EN300-05848,
ethyl 2-(2-chloroacetylamino)-4-methyl-5-(N-methylcarbamoyl)thiophene-3-carbox ylate,
ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate,
ZINC03337421,
CID2453608,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.772g/mol |
| Monoisotopic Mass | 318.044g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number