TL;DR: N-[4-[(4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]sulfonylacetamide (CAS 1164513-02-3) is a chemical compound with molecular formula C22H23N3O3S3 and molecular weight 473.09015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[(4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]sulfonylacetamide
Also Known As: N-[4-[(4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]sulfonylacetamide, AJ-292/14597107, (Z)-N-((4-((4,4,7,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino)phenyl)sulfonyl)acetamide, N-[(4-{[(1Z)-4,4,7,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}phenyl)sulfonyl]acetamide, N-Acetyl-4-[4,4,7,8-tetramethyl-4,5-dihydro-[1,2]dithiolo[3,4-c]quinolin-(1Z)-ylideneamino]-benzenesulfonamide
| Molecular Formula | C22H23N3O3S3 |
| Molecular Weight | 473.09015 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.09015 Da |
| Heavy Atoms | 31 |
| Complexity | 899.0 |
| SMILES | CC1=CC2=C(C=C1C)NC(C3=C2C(=NC4=CC=C(C=C4)S(=O)(=O)NC(=O)C)SS3)(C)C |
| InChIKey | MCUTVQUXLJEKAW-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that N-[4-[(4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]sulfonylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting N-[4-[(4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]sulfonylacetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[4-[(4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]sulfonylacetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[4-[(4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]sulfonylacetamide is 1164513-02-3.
The molecular formula of N-[4-[(4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]sulfonylacetamide is C22H23N3O3S3.
The molecular weight of N-[4-[(4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]sulfonylacetamide is 473.09015 g/mol.
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