AC1N5TDE
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
Also Known As: NCGC00100974-01|2-Benzofurancarboxamide,N-[(4-chlorophenyl)methyl]-3,6-dimethyl-N-(tetrahydro-1,1-dioxido-3-thienyl)-(9CI)|N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6-dimethyl-benzofuran-2-carboxamide|2-benzofurancarboxamide,n-[(4-chlorophenyl)methyl]-3,6-dimethyl-n-(tetrahydro-1,1-dioxido-3-thienyl)-|N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide|N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6-dimethylbenzofuran-2-carboxamide|N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
| Molecular Formula | C22H22ClNO4S |
|---|---|
| Molecular Weight | 431.0958 g/mol |
| LogP | 4.53254 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.0958 |
| Monoisotopic Mass | 431.0958 |
| Heavy Atoms | 29 |
| Complexity | 1181.4927 |
Chemical Identifiers
| CAS Number | 577998-85-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC=C(C=C3)Cl)C4CCS(=O)(=O)C4)C |
Product Overview
AC1N5TDE (CAS 577998-85-7), with molecular formula C22H22ClNO4S and molecular weight 431.0958 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide.