N-[2-Butyl-3-(4-methoxybenzoyl)-5-benzofuranyl]-methanesulfonamide - CAS 1384513-86-3
Catalog: |
BB071626 |
Product Name: |
N-[2-Butyl-3-(4-methoxybenzoyl)-5-benzofuranyl]-methanesulfonamide |
CAS: |
1384513-86-3 |
Synonyms: |
N-[2-Butyl-3-(4-methoxybenzoyl)-5-benzofuranyl]-methanesulfonamide; N-[2-butyl-3-(4-methoxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide; N-(2-Butyl-3-(4-methoxybenzoyl)benzofuran-5-yl)methanesulfonamide |
IUPAC Name: | N-[2-butyl-3-(4-methoxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide |
Molecular Weight: | 401.48 |
Molecular Formula: | C21H23NO5S |
Canonical SMILES: | CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OC |
InChI: | InChI=1S/C21H23NO5S/c1-4-5-6-19-20(21(23)14-7-10-16(26-2)11-8-14)17-13-15(22-28(3,24)25)9-12-18(17)27-19/h7-13,22H,4-6H2,1-3H3 |
InChI Key: | TUWODEPFKKGUES-UHFFFAOYSA-N |
Complexity: | 623 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 401.12969401 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 401.12969401 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 94Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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