C191H154BrCl8N11O20S3 — CID 158805842
N-[5-(benzhydrylsulfamoyl)-2-chlorophenyl]-3,5-dichlorobenzamide;N-(3-benzoyl-4-chlorophenyl)-3,5-dichlorobenzamide;N-[3-bromo-5-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-5-phenylpentanamide;N-[4-methoxy-3-(2-naphthalen-1-ylethoxy)phenyl]naphthalene-1-sulfonamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-2,2-diphenylacetamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]naphthalene-1-carboxamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 158805842) has the molecular formula C191H154BrCl8N11O20S3 and a molecular weight of 3383.12 g/mol. Its IUPAC name is N-[5-(benzhydrylsulfamoyl)-2-chlorophenyl]-3,5-dichlorobenzamide;N-(3-benzoyl-4-chlorophenyl)-3,5-dichlorobenzamide;N-[3-bromo-5-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-5-phenylpentanamide;N-[4-methoxy-3-(2-naphthalen-1-ylethoxy)phenyl]naphthalene-1-sulfonamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-2,2-diphenylacetamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]naphthalene-1-carboxamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-2-naphthalen-1-ylacetamide.
| Compound Name | N-[5-(benzhydrylsulfamoyl)-2-chlorophenyl]-3,5-dichlorobenzamide;N-(3-benzoyl-4-chlorophenyl)-3,5-dichlorobenzamide;N-[3-bromo-5-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-5-phenylpentanamide;N-[4-methoxy-3-(2-naphthalen-1-ylethoxy)phenyl]naphthalene-1-sulfonamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-2,2-diphenylacetamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]naphthalene-1-carboxamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-2-naphthalen-1-ylacetamide |
|---|---|
| PubChem CID | 158805842 |
| Molecular Formula | C191H154BrCl8N11O20S3 |
| Molecular Weight | 3383.12 g/mol |
| Exact Mass | 3375.72 |
| IUPAC Name | N-[5-(benzhydrylsulfamoyl)-2-chlorophenyl]-3,5-dichlorobenzamide;N-(3-benzoyl-4-chlorophenyl)-3,5-dichlorobenzamide;N-[3-bromo-5-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-5-phenylpentanamide;N-[4-methoxy-3-(2-naphthalen-1-ylethoxy)phenyl]naphthalene-1-sulfonamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-2,2-diphenylacetamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]naphthalene-1-carboxamide;N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-2-naphthalen-1-ylacetamide |
| SMILES | COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1OCc1cccc2ccccc12.COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1OCc1cccc2ccccc12.COc1ccc(NC(=O)c2cccc3ccccc23)cc1OCc1cccc2ccccc12.COc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1OCCc1cccc2ccccc12.O=C(CCCCc1ccccc1)Nc1cc(Br)cc(C(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)c1.O=C(Nc1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)ccc1Cl)c1cc(Cl)cc(Cl)c1.O=C(Nc1ccc(Cl)c(C(=O)c2ccccc2)c1)c1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C32H27NO3.C30H25NO3.C29H25NO4S.C29H23NO3.C26H19Cl3N2O3S.C25H23BrCl2N4O2S.C20H12Cl3NO2/c1-35-29-20-19-27(21-30(29)36-22-26-17-10-16-23-11-8-9-18-28(23)26)33-32(34)31(24-12-4-2-5-13-24)25-14-6-3-7-15-25;1-33-28-17-16-25(31-30(32)18-23-12-6-10-21-8-2-4-14-26(21)23)19-29(28)34-20-24-13-7-11-22-9-3-5-15-27(22)24;1-33-27-17-16-24(30-35(31,32)29-15-7-12-22-9-3-5-14-26(22)29)20-28(27)34-19-18-23-11-6-10-21-8-2-4-13-25(21)23;1-32-27-17-16-23(30-29(31)26-15-7-11-21-9-3-5-14-25(21)26)18-28(27)33-19-22-12-6-10-20-8-2-4-13-24(20)22;27-20-13-19(14-21(28)15-20)26(32)30-24-16-22(11-12-23(24)29)35(33,34)31-25(17-7-3-1-4-8-17)18-9-5-2-6-10-18;26-18-12-17(24(34)31-32-25(35)30-19-10-11-21(27)22(28)15-19)13-20(14-18)29-23(33)9-5-4-8-16-6-2-1-3-7-16;21-14-8-13(9-15(22)10-14)20(26)24-16-6-7-18(23)17(11-16)19(25)12-4-2-1-3-5-12/h2-21,31H,22H2,1H3,(H,33,34);2-17,19H,18,20H2,1H3,(H,31,32);2-17,20,30H,18-19H2,1H3;2-18H,19H2,1H3,(H,30,31);1-16,25,31H,(H,30,32);1-3,6-7,10-15H,4-5,8-9H2,(H,29,33)(H,31,34)(H2,30,32,35);1-11H,(H,24,26) |
| InChIKey | IUBIZRWQIZUCAR-UHFFFAOYSA-N |
| XLogP | 47.05 |
| TPSA | 411.01 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 234 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3383.12 |
| LogP ≤ 5 | 47.05 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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