| CAS Number | 354811-10-2 |
| Catalog Number | AG00C5PQ(AGN-PC-0LT9VW) |
| Chemical Name | (5-Phenyl-2-ureido)thiophene-3-carboxamide |
| IUPAC Name | 2-(carbamoylamino)-5-phenylthiophene-3-carboxamide |
| InChI | InChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17) |
| InChI Key | PSVUSJKZJQMCSP-UHFFFAOYSA-N |
| MDL Number | MFCD09037542 |
| Molecular Formula | C12H11N3O2S |
| Molecular Weight | 261.2996 |
| SMILES | C1(=CC=CC=C1)C1=CC(=C(S1)NC(=O)N)C(=O)N |
| Synonyms | IKK-2 Inhibitor VI,
(5-Phenyl-2-ureido)thiophene-3-carboxamide,
354811-10-2,
5-Phenyl-2-Ureidothiophene-3-Carboxamide,
CHEMBL404609,
2-[(Aminocarbonyl)amino]-5-phenyl-3-thiophenecarboxamide,
2-(carbamoylamino)-5-phenylthiophene-3-carboxamide,
IK1,
K00238,
AC1O4WD0,
SCHEMBL1385889,
CTK8F1929,
DTXSID40423557,
PSVUSJKZJQMCSP-UHFFFAOYSA-N,
HMS2043P17,
HMS3229F13,
BDBM50375661,
IN1462,
ZINC22065874,
FT-0673852,
CID6419765,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.299g/mol |
| Monoisotopic Mass | 261.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number