C236H266FN21O27S — CID 162011324
N-(1H-benzimidazol-2-ylmethyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]-4-sulfamoylphenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(3-methoxypropylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(2R)-butan-2-yl] N-[[2-[2-[(6-methyl-2-pyridinyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;N-cyclopentyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(4-methylpentan-2-yl)benzamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(3-propan-2-yloxypropyl)benzamide;2-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 162011324) has the molecular formula C236H266FN21O27S and a molecular weight of 3879.91 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]-4-sulfamoylphenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(3-methoxypropylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(2R)-butan-2-yl] N-[[2-[2-[(6-methyl-2-pyridinyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;N-cyclopentyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(4-methylpentan-2-yl)benzamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(3-propan-2-yloxypropyl)benzamide;2-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide.
| Compound Name | N-(1H-benzimidazol-2-ylmethyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]-4-sulfamoylphenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(3-methoxypropylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(2R)-butan-2-yl] N-[[2-[2-[(6-methyl-2-pyridinyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;N-cyclopentyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(4-methylpentan-2-yl)benzamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(3-propan-2-yloxypropyl)benzamide;2-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide |
|---|---|
| PubChem CID | 162011324 |
| Molecular Formula | C236H266FN21O27S |
| Molecular Weight | 3879.91 g/mol |
| Exact Mass | 3876.98 |
| IUPAC Name | N-(1H-benzimidazol-2-ylmethyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]-4-sulfamoylphenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(3-methoxypropylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(2R)-butan-2-yl] N-[[2-[2-[(6-methyl-2-pyridinyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;N-cyclopentyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(4-methylpentan-2-yl)benzamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(3-propan-2-yloxypropyl)benzamide;2-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide |
| SMILES | C.C.C.C.C.C.CC[C@@H](C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1cccc(C)n1.COCCCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NC(C)CC(C)C)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NC2CCCC2)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCCOC(C)C)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2nc3ccccc3[nH]2)cc1.C[C@H](CC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2-c2ccccc2CNC(=O)OCc2ccccc2)c(F)c1 |
| InChI | InChI=1S/C31H28N4O3.C31H31N3O2.C30H28FN3O5S.C29H34N2O4.C29H34N2O3.C28H30N2O3.C26H29N3O3.C26H28N2O4.6CH4/c1-38-23-16-14-21(15-17-23)18-30(36)32-19-22-8-2-3-9-24(22)25-10-4-5-11-26(25)31(37)33-20-29-34-27-12-6-7-13-28(27)35-29;1-23(24-11-3-2-4-12-24)21-30(35)34-22-25-13-5-6-15-27(25)28-16-7-8-17-29(28)31(36)33-20-18-26-14-9-10-19-32-26;1-20-11-12-23(28(31)15-20)18-33-29(35)27-16-24(40(32,37)38)13-14-26(27)25-10-6-5-9-22(25)17-34-30(36)39-19-21-7-3-2-4-8-21;1-21(2)35-18-8-17-30-29(33)27-12-7-6-11-26(27)25-10-5-4-9-23(25)20-31-28(32)19-22-13-15-24(34-3)16-14-22;1-20(2)17-21(3)31-29(33)27-12-8-7-11-26(27)25-10-6-5-9-23(25)19-30-28(32)18-22-13-15-24(34-4)16-14-22;1-33-23-16-14-20(15-17-23)18-27(31)29-19-21-8-2-5-11-24(21)25-12-6-7-13-26(25)28(32)30-22-9-3-4-10-22;1-4-19(3)32-26(31)28-16-20-11-5-6-13-22(20)23-14-7-8-15-24(23)25(30)27-17-21-12-9-10-18(2)29-21;1-31-17-9-16-27-25(29)24-15-8-7-14-23(24)22-13-6-5-12-21(22)18-28-26(30)32-19-20-10-3-2-4-11-20;;;;;;/h2-17H,18-20H2,1H3,(H,32,36)(H,33,37)(H,34,35);2-17,19,23H,18,20-22H2,1H3,(H,33,36)(H,34,35);2-16H,17-19H2,1H3,(H,33,35)(H,34,36)(H2,32,37,38);4-7,9-16,21H,8,17-20H2,1-3H3,(H,30,33)(H,31,32);5-16,20-21H,17-19H2,1-4H3,(H,30,32)(H,31,33);2,5-8,11-17,22H,3-4,9-10,18-19H2,1H3,(H,29,31)(H,30,32);5-15,19H,4,16-17H2,1-3H3,(H,27,30)(H,28,31);2-8,10-15H,9,16-19H2,1H3,(H,27,29)(H,28,30);6*1H4/t;23-;;;;;19-;;;;;;;/m.1....1......./s1 |
| InChIKey | YTNBCLXSQWOIIY-QQXOBWEVSA-N |
| XLogP | 43.78 |
| TPSA | 663.29 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 76 |
| Heavy Atoms | 286 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3879.91 |
| LogP ≤ 5 | 43.78 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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