About N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride (PubChem CID 23627457) has the molecular formula C33H33ClN4O3S
and a molecular weight of 601.17 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride.
Molecular Properties
| Compound Name | N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride |
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| PubChem CID | 23627457 |
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| Molecular Formula | C33H33ClN4O3S |
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| Molecular Weight | 601.17 g/mol |
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| Exact Mass | 600.20 |
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| IUPAC Name | N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride |
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| SMILES | Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3C2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1.Cl |
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| InChI | InChI=1S/C33H32N4O3S.ClH/c1-23-10-16-26(17-11-23)41(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-24-12-14-25(15-13-24)33-35-20-21-36-33;/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36);1H |
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| InChIKey | DHGJYCJUJXCDFQ-UHFFFAOYSA-N |
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| XLogP | 5.43 |
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| TPSA | 90.87 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 601.17 |
| LogP ≤ 5 | 5.43 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride (CID 23627457) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride is Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3C2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1.Cl.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride?
The InChIKey is DHGJYCJUJXCDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O3S.ClH/c1-23-10-16-26(17-11-23)41(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-24-12-14-25(15-13-24)33-35-20-21-36-33;/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36);1H.
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride has a molecular weight of 601.17 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride is sourced from PubChem (CID 23627457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).