| CAS Number | 2089650-46-2 |
| Catalog Number | AG01DTSE |
| Chemical Name | 3-(4-((1h-imidazol-1-yl)methyl)phenyl)-n-(tert-butyl)thiophene-2-sulfonamide |
| IUPAC Name | N-tert-butyl-3-[4-(imidazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide |
| InChI | InChI=1S/C18H21N3O2S2/c1-18(2,3)20-25(22,23)17-16(8-11-24-17)15-6-4-14(5-7-15)12-21-10-9-19-13-21/h4-11,13,20H,12H2,1-3H3 |
| InChI Key | XVJRXYSQLYPBQY-UHFFFAOYSA-N |
| MDL Number | MFCD30728487 |
| Molecular Formula | C18H21N3O2S2 |
| Molecular Weight | 375.5082 |
| SMILES | N1(C=NC=C1)CC1=CC=C(C=C1)C1=C(SC=C1)S(=O)(=O)NC(C)(C)C |
| Synonyms | 3-(4-((1H-imidazol-1-yl)methyl)phenyl)-N-(tert-butyl)thiophene-2-sulfonamide,
ZINC584907033,
CS-W000770,
AS-48646,
2089650-46-2,
|
| Complexity | 534 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.505g/mol |
| Monoisotopic Mass | 375.108g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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