| CAS Number | 565165-67-5 |
| Catalog Number | AG019GZF |
| Chemical Name | 2-(2-Chloro-propionylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 2-(2-chloropropanoylamino)-5-phenylthiophene-3-carboxylate |
| InChI | InChI=1S/C16H16ClNO3S/c1-3-21-16(20)12-9-13(11-7-5-4-6-8-11)22-15(12)18-14(19)10(2)17/h4-10H,3H2,1-2H3,(H,18,19) |
| InChI Key | CCNVDQZHTPOGTD-UHFFFAOYSA-N |
| MDL Number | MFCD03965280 |
| Molecular Formula | C16H16ClNO3S |
| Molecular Weight | 337.8211 |
| SMILES | CCOC(C1=C(NC(C(Cl)C)=O)SC(C2=CC=CC=C2)=C1)=O |
| Synonyms | 2-(2-Chloro-propionylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester,
ethyl 2-(2-chloropropanamido)-5-phenylthiophene-3-carboxylate,
565165-67-5,
ethyl 2-(2-chloropropanoylamino)-5-phenylthiophene-3-carboxylate,
AC1MX8JA,
AC1Q337T,
CTK6F6039,
SBB077972,
AKOS000115705,
AKOS016050659,
MCULE-2547891263,
NE12676,
BB 0218745,
EN300-01957,
ZINC03269751,
CID3761665,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.818g/mol |
| Monoisotopic Mass | 337.054g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number