2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide

C224H280N28O40S5 — CID 161061324

IUPAC2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide
SMILESCN(C)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1.NS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.O=C(COc1ccccc1-c1ccn[nH]1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1C1CCCCC1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1N1CCOCC1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H34N2O3.C24H28N4O2.C24H31N3O4.C23H26N4O3.C22H29N3O3.C22H28N2O5S.C21H27N3O5S.2C21H26N2O5S.C20H25N3O5S/c29-23(18-28-15-14-20-8-4-5-11-22(20)17-28)16-27-26(30)19-31-25-13-7-6-12-24(25)21-9-2-1-3-10-21;1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28;28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-31-23-8-4-3-7-22(23)27-11-13-30-14-12-27;28-19(15-27-12-10-17-5-1-2-6-18(17)14-27)13-24-23(29)16-30-22-8-4-3-7-20(22)21-9-11-25-26-21;1-24(2)20-9-5-6-10-21(20)28-16-22(27)23-13-19(26)15-25-12-11-17-7-3-4-8-18(17)14-25;1-30(27,28)23-21-8-4-5-9-22(21)29-16-20(26)11-10-19(25)15-24-13-12-17-6-2-3-7-18(17)14-24;1-30(27,28)23-18-6-8-20(9-7-18)29-15-21(26)22-12-19(25)14-24-11-10-16-4-2-3-5-17(16)13-24;1-29(26,27)20-9-5-4-8-19(20)28-15-21(25)22-12-18(24)14-23-11-10-16-6-2-3-7-17(16)13-23;1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23;21-29(26,27)19-7-5-18(6-8-19)28-14-20(25)22-11-17(24)13-23-10-9-15-3-1-2-4-16(15)12-23/h4-8,11-13,21,23,29H,1-3,9-10,14-19H2,(H,27,30);2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30);1-8,21,28H,9-18H2,(H,25,29);1-9,11,19,28H,10,12-16H2,(H,24,29)(H,25,26);3-10,19,26H,11-16H2,1-2H3,(H,23,27);2-9,19,23,25H,10-16H2,1H3;2-9,19,23,25H,10-15H2,1H3,(H,22,26);2-9,18,24H,10-15H2,1H3,(H,22,25);2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25);1-8,17,24H,9-14H2,(H,22,25)(H2,21,26,27)
InChIKeyUDKXUTOVVUNOSK-UHFFFAOYSA-N
MW4165.19 g/mol
LogP16.34
Rot. Bonds82

About 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide

2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide (PubChem CID 161061324) has the molecular formula C224H280N28O40S5 and a molecular weight of 4165.19 g/mol. Its IUPAC name is 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide
PubChem CID161061324
Molecular FormulaC224H280N28O40S5
Molecular Weight4165.19 g/mol
Exact Mass4161.93
IUPAC Name2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide
SMILESCN(C)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1.NS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.O=C(COc1ccccc1-c1ccn[nH]1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1C1CCCCC1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1N1CCOCC1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H34N2O3.C24H28N4O2.C24H31N3O4.C23H26N4O3.C22H29N3O3.C22H28N2O5S.C21H27N3O5S.2C21H26N2O5S.C20H25N3O5S/c29-23(18-28-15-14-20-8-4-5-11-22(20)17-28)16-27-26(30)19-31-25-13-7-6-12-24(25)21-9-2-1-3-10-21;1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28;28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-31-23-8-4-3-7-22(23)27-11-13-30-14-12-27;28-19(15-27-12-10-17-5-1-2-6-18(17)14-27)13-24-23(29)16-30-22-8-4-3-7-20(22)21-9-11-25-26-21;1-24(2)20-9-5-6-10-21(20)28-16-22(27)23-13-19(26)15-25-12-11-17-7-3-4-8-18(17)14-25;1-30(27,28)23-21-8-4-5-9-22(21)29-16-20(26)11-10-19(25)15-24-13-12-17-6-2-3-7-18(17)14-24;1-30(27,28)23-18-6-8-20(9-7-18)29-15-21(26)22-12-19(25)14-24-11-10-16-4-2-3-5-17(16)13-24;1-29(26,27)20-9-5-4-8-19(20)28-15-21(25)22-12-18(24)14-23-11-10-16-6-2-3-7-17(16)13-23;1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23;21-29(26,27)19-7-5-18(6-8-19)28-14-20(25)22-11-17(24)13-23-10-9-15-3-1-2-4-16(15)12-23/h4-8,11-13,21,23,29H,1-3,9-10,14-19H2,(H,27,30);2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30);1-8,21,28H,9-18H2,(H,25,29);1-9,11,19,28H,10,12-16H2,(H,24,29)(H,25,26);3-10,19,26H,11-16H2,1-2H3,(H,23,27);2-9,19,23,25H,10-16H2,1H3;2-9,19,23,25H,10-15H2,1H3,(H,22,26);2-9,18,24H,10-15H2,1H3,(H,22,25);2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25);1-8,17,24H,9-14H2,(H,22,25)(H2,21,26,27)
InChIKeyUDKXUTOVVUNOSK-UHFFFAOYSA-N
XLogP16.34
TPSA879.73 Ų
H-Bond Donors23
H-Bond Acceptors55
Rotatable Bonds82
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004165.19
LogP ≤ 516.34
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1055

Analyze 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide?
The IUPAC name of 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide (CID 161061324) is 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide?
The canonical SMILES for 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide is CN(C)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1.NS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.O=C(COc1ccccc1-c1ccn[nH]1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1C1CCCCC1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1N1CCOCC1)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide?
The InChIKey is UDKXUTOVVUNOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3.C24H28N4O2.C24H31N3O4.C23H26N4O3.C22H29N3O3.C22H28N2O5S.C21H27N3O5S.2C21H26N2O5S.C20H25N3O5S/c29-23(18-28-15-14-20-8-4-5-11-22(20)17-28)16-27-26(30)19-31-25-13-7-6-12-24(25)21-9-2-1-3-10-21;1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28;28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-31-23-8-4-3-7-22(23)27-11-13-30-14-12-27;28-19(15-27-12-10-17-5-1-2-6-18(17)14-27)13-24-23(29)16-30-22-8-4-3-7-20(22)21-9-11-25-26-21;1-24(2)20-9-5-6-10-21(20)28-16-22(27)23-13-19(26)15-25-12-11-17-7-3-4-8-18(17)14-25;1-30(27,28)23-21-8-4-5-9-22(21)29-16-20(26)11-10-19(25)15-24-13-12-17-6-2-3-7-18(17)14-24;1-30(27,28)23-18-6-8-20(9-7-18)29-15-21(26)22-12-19(25)14-24-11-10-16-4-2-3-5-17(16)13-24;1-29(26,27)20-9-5-4-8-19(20)28-15-21(25)22-12-18(24)14-23-11-10-16-6-2-3-7-17(16)13-23;1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23;21-29(26,27)19-7-5-18(6-8-19)28-14-20(25)22-11-17(24)13-23-10-9-15-3-1-2-4-16(15)12-23/h4-8,11-13,21,23,29H,1-3,9-10,14-19H2,(H,27,30);2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30);1-8,21,28H,9-18H2,(H,25,29);1-9,11,19,28H,10,12-16H2,(H,24,29)(H,25,26);3-10,19,26H,11-16H2,1-2H3,(H,23,27);2-9,19,23,25H,10-16H2,1H3;2-9,19,23,25H,10-15H2,1H3,(H,22,26);2-9,18,24H,10-15H2,1H3,(H,22,25);2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25);1-8,17,24H,9-14H2,(H,22,25)(H2,21,26,27).
What are the key properties of 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide?
2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide has a molecular weight of 4165.19 g/mol, XLogP of 16.34, 82 rotatable bonds, 23 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 161061324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).