C182H244N32O17S — CID 157197456
4-acetamido-2-methyl-5-phenyldiazenylbenzenesulfonic acid;ethane;N-[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]acetamide;[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea;N-[2-[(2-methoxy-4-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-[2-[(2-methoxy-5-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-(4-methoxy-5-methyl-2-phenyldiazenylphenyl)acetamide;N-(5-methyl-2-phenyldiazenylphenyl)acetamide;bis((5-methyl-2-phenyldiazenylphenyl)urea);(4-methylphenyl)-phenyldiazene (PubChem CID 157197456) has the molecular formula C182H244N32O17S and a molecular weight of 3184.23 g/mol. Its IUPAC name is 4-acetamido-2-methyl-5-phenyldiazenylbenzenesulfonic acid;ethane;N-[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]acetamide;[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea;N-[2-[(2-methoxy-4-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-[2-[(2-methoxy-5-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-(4-methoxy-5-methyl-2-phenyldiazenylphenyl)acetamide;N-(5-methyl-2-phenyldiazenylphenyl)acetamide;bis((5-methyl-2-phenyldiazenylphenyl)urea);(4-methylphenyl)-phenyldiazene.
| Compound Name | 4-acetamido-2-methyl-5-phenyldiazenylbenzenesulfonic acid;ethane;N-[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]acetamide;[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea;N-[2-[(2-methoxy-4-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-[2-[(2-methoxy-5-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-(4-methoxy-5-methyl-2-phenyldiazenylphenyl)acetamide;N-(5-methyl-2-phenyldiazenylphenyl)acetamide;bis((5-methyl-2-phenyldiazenylphenyl)urea);(4-methylphenyl)-phenyldiazene |
|---|---|
| PubChem CID | 157197456 |
| Molecular Formula | C182H244N32O17S |
| Molecular Weight | 3184.23 g/mol |
| Exact Mass | 3181.89 |
| IUPAC Name | 4-acetamido-2-methyl-5-phenyldiazenylbenzenesulfonic acid;ethane;N-[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]acetamide;[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea;N-[2-[(2-methoxy-4-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-[2-[(2-methoxy-5-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-(4-methoxy-5-methyl-2-phenyldiazenylphenyl)acetamide;N-(5-methyl-2-phenyldiazenylphenyl)acetamide;bis((5-methyl-2-phenyldiazenylphenyl)urea);(4-methylphenyl)-phenyldiazene |
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)Nc1cc(C)c(S(=O)(=O)O)cc1/N=N/c1ccccc1.CC(=O)Nc1cc(C)ccc1/N=N/c1ccccc1.COc1cc(/N=N/c2ccccc2)c(NC(C)=O)cc1C.COc1cc(C)c(C)cc1/N=N/c1ccc(C)cc1NC(C)=O.COc1cc(C)c(C)cc1/N=N/c1ccc(C)cc1NC(N)=O.COc1cc(C)ccc1/N=N/c1ccc(C)cc1NC(C)=O.COc1ccc(C)cc1/N=N/c1ccc(C)cc1NC(C)=O.Cc1ccc(/N=N/c2ccccc2)c(NC(N)=O)c1.Cc1ccc(/N=N/c2ccccc2)c(NC(N)=O)c1.Cc1ccc(/N=N/c2ccccc2)cc1 |
| InChI | InChI=1S/C18H21N3O2.C17H20N4O2.2C17H19N3O2.C16H17N3O2.C15H15N3O4S.C15H15N3O.2C14H14N4O.C13H12N2.13C2H6/c1-11-6-7-15(16(8-11)19-14(4)22)20-21-17-9-12(2)13(3)10-18(17)23-5;1-10-5-6-13(14(7-10)19-17(18)22)20-21-15-8-11(2)12(3)9-16(15)23-4;1-11-5-7-14(15(9-11)18-13(3)21)19-20-16-10-12(2)6-8-17(16)22-4;1-11-5-7-14(16(9-11)18-13(3)21)19-20-15-8-6-12(2)10-17(15)22-4;1-11-9-14(17-12(2)20)15(10-16(11)21-3)19-18-13-7-5-4-6-8-13;1-10-8-13(16-11(2)19)14(9-15(10)23(20,21)22)18-17-12-6-4-3-5-7-12;1-11-8-9-14(15(10-11)16-12(2)19)18-17-13-6-4-3-5-7-13;2*1-10-7-8-12(13(9-10)16-14(15)19)18-17-11-5-3-2-4-6-11;1-11-7-9-13(10-8-11)15-14-12-5-3-2-4-6-12;13*1-2/h6-10H,1-5H3,(H,19,22);5-9H,1-4H3,(H3,18,19,22);2*5-10H,1-4H3,(H,18,21);4-10H,1-3H3,(H,17,20);3-9H,1-2H3,(H,16,19)(H,20,21,22);3-10H,1-2H3,(H,16,19);2*2-9H,1H3,(H3,15,16,19);2-10H,1H3;13*1-2H3/b2*21-20+;2*20-19+;19-18+;4*18-17+;15-14+;;;;;;;;;;;;; |
| InChIKey | AQKIYSDKHNSGBJ-MVFRIFFHSA-N |
| XLogP | 56.81 |
| TPSA | 687.68 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 232 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3184.23 |
| LogP ≤ 5 | 56.81 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'} |
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