N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane

C194H204N28O20S — CID 159839792

IUPACN-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
SMILESCN(C(=O)c1ccc(-c2ccncc2)cc1)[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.CN(C)Cc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cn3)c2)cc1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5cccnc5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5ccn[nH]5)cc4)c3)cc2C1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCN(C)CC2)c1.O=C(NC1CCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.S
InChIInChI=1S/C31H30N4O3.C30H31N5O3.C29H29N5O3.C28H32N4O2.C27H29N3O3.C25H25N3O3.C24H26N4O3.H2S/c1-35-15-13-22-11-12-28(17-27(22)19-35)33-31(38)25-5-2-4-24(16-25)29(20-36)34-30(37)23-9-7-21(8-10-23)26-6-3-14-32-18-26;1-35(2)19-22-8-6-21(7-9-22)17-33-29(37)25-5-3-4-24(16-25)28(20-36)34-30(38)27-11-10-26(18-32-27)23-12-14-31-15-13-23;1-34-14-12-19-9-10-25(16-24(19)17-34)31-29(37)23-4-2-3-22(15-23)27(18-35)32-28(36)21-7-5-20(6-8-21)26-11-13-30-33-26;1-20(31-28(34)24-8-6-22(7-9-24)23-10-14-29-15-11-23)25-4-3-5-26(18-25)27(33)30-19-21-12-16-32(2)17-13-21;1-30(27(33)21-11-9-19(10-12-21)20-13-15-28-16-14-20)25(18-31)22-5-4-6-23(17-22)26(32)29-24-7-2-3-8-24;29-16-23(20-3-1-4-21(15-20)25(31)27-22-5-2-6-22)28-24(30)19-9-7-17(8-10-19)18-11-13-26-14-12-18;29-15-22(18-4-3-5-19(12-18)24(31)27-21-6-1-2-7-21)28-23(30)17-10-8-16(9-11-17)20-13-25-26-14-20;/h2-12,14,16-18,29,36H,13,15,19-20H2,1H3,(H,33,38)(H,34,37);3-16,18,28,36H,17,19-20H2,1-2H3,(H,33,37)(H,34,38);2-11,13,15-16,27,35H,12,14,17-18H2,1H3,(H,30,33)(H,31,37)(H,32,36);3-11,14-15,18,20-21H,12-13,16-17,19H2,1-2H3,(H,30,33)(H,31,34);4-6,9-17,24-25,31H,2-3,7-8,18H2,1H3,(H,29,32);1,3-4,7-15,22-23,29H,2,5-6,16H2,(H,27,31)(H,28,30);3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,25,26)(H,27,31)(H,28,30);1H2/t29-;28-;27-;20-;25-;23-;22-;/m1111111./s1
InChIKeyNONMZMXXMHYHGM-RVDYRKBYSA-N
MW3280.01 g/mol
LogP27.19
Rot. Bonds52

About N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane

N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane (PubChem CID 159839792) has the molecular formula C194H204N28O20S and a molecular weight of 3280.01 g/mol. Its IUPAC name is N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane.

Molecular Properties

Compound NameN-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
PubChem CID159839792
Molecular FormulaC194H204N28O20S
Molecular Weight3280.01 g/mol
Exact Mass3277.55
IUPAC NameN-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
SMILESCN(C(=O)c1ccc(-c2ccncc2)cc1)[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.CN(C)Cc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cn3)c2)cc1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5cccnc5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5ccn[nH]5)cc4)c3)cc2C1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCN(C)CC2)c1.O=C(NC1CCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.S
InChIInChI=1S/C31H30N4O3.C30H31N5O3.C29H29N5O3.C28H32N4O2.C27H29N3O3.C25H25N3O3.C24H26N4O3.H2S/c1-35-15-13-22-11-12-28(17-27(22)19-35)33-31(38)25-5-2-4-24(16-25)29(20-36)34-30(37)23-9-7-21(8-10-23)26-6-3-14-32-18-26;1-35(2)19-22-8-6-21(7-9-22)17-33-29(37)25-5-3-4-24(16-25)28(20-36)34-30(38)27-11-10-26(18-32-27)23-12-14-31-15-13-23;1-34-14-12-19-9-10-25(16-24(19)17-34)31-29(37)23-4-2-3-22(15-23)27(18-35)32-28(36)21-7-5-20(6-8-21)26-11-13-30-33-26;1-20(31-28(34)24-8-6-22(7-9-24)23-10-14-29-15-11-23)25-4-3-5-26(18-25)27(33)30-19-21-12-16-32(2)17-13-21;1-30(27(33)21-11-9-19(10-12-21)20-13-15-28-16-14-20)25(18-31)22-5-4-6-23(17-22)26(32)29-24-7-2-3-8-24;29-16-23(20-3-1-4-21(15-20)25(31)27-22-5-2-6-22)28-24(30)19-9-7-17(8-10-19)18-11-13-26-14-12-18;29-15-22(18-4-3-5-19(12-18)24(31)27-21-6-1-2-7-21)28-23(30)17-10-8-16(9-11-17)20-13-25-26-14-20;/h2-12,14,16-18,29,36H,13,15,19-20H2,1H3,(H,33,38)(H,34,37);3-16,18,28,36H,17,19-20H2,1-2H3,(H,33,37)(H,34,38);2-11,13,15-16,27,35H,12,14,17-18H2,1H3,(H,30,33)(H,31,37)(H,32,36);3-11,14-15,18,20-21H,12-13,16-17,19H2,1-2H3,(H,30,33)(H,31,34);4-6,9-17,24-25,31H,2-3,7-8,18H2,1H3,(H,29,32);1,3-4,7-15,22-23,29H,2,5-6,16H2,(H,27,31)(H,28,30);3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,25,26)(H,27,31)(H,28,30);1H2/t29-;28-;27-;20-;25-;23-;22-;/m1111111./s1
InChIKeyNONMZMXXMHYHGM-RVDYRKBYSA-N
XLogP27.19
TPSA667.65 Ų
H-Bond Donors21
H-Bond Acceptors32
Rotatable Bonds52
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003280.01
LogP ≤ 527.19
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1032

Analyze N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane with MolForge

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide
CID 157284286
N-(2-acetamidoethyl)-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-naphthalen-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide
CID 157503928
N-cyclopentyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-phenylbenzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 157740744
CID 157797520
CID 157797520
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2-methylpyrazol-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-4-ylbenzamide
CID 157819075
N-cyclohexyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-5-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
CID 158735447
N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline
CID 158958830
N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 159204686
N-cyclopentyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-phenylbenzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 159293832
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2-methylpyrazol-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-4-ylbenzamide
CID 160175584
N'-benzyl-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carbohydrazide;N-(3-hydroxy-1-phenylpropyl)-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1-methylpyrazol-4-yl)methyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-phenacyl-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;(3-phenylpiperazin-1-yl)-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)methanone;N'-phenyl-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carbohydrazide
CID 160230597
1-[4-(3-acetamidopropanoylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-2-phenylbutanediamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-pyridin-3-ylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 160614230

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane?
The IUPAC name of N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane (CID 159839792) is N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane.
What is the SMILES notation for N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane?
The canonical SMILES for N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane is CN(C(=O)c1ccc(-c2ccncc2)cc1)[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.CN(C)Cc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cn3)c2)cc1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5cccnc5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5ccn[nH]5)cc4)c3)cc2C1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCN(C)CC2)c1.O=C(NC1CCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.S.
What is the InChIKey of N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane?
The InChIKey is NONMZMXXMHYHGM-RVDYRKBYSA-N. The full InChI is InChI=1S/C31H30N4O3.C30H31N5O3.C29H29N5O3.C28H32N4O2.C27H29N3O3.C25H25N3O3.C24H26N4O3.H2S/c1-35-15-13-22-11-12-28(17-27(22)19-35)33-31(38)25-5-2-4-24(16-25)29(20-36)34-30(37)23-9-7-21(8-10-23)26-6-3-14-32-18-26;1-35(2)19-22-8-6-21(7-9-22)17-33-29(37)25-5-3-4-24(16-25)28(20-36)34-30(38)27-11-10-26(18-32-27)23-12-14-31-15-13-23;1-34-14-12-19-9-10-25(16-24(19)17-34)31-29(37)23-4-2-3-22(15-23)27(18-35)32-28(36)21-7-5-20(6-8-21)26-11-13-30-33-26;1-20(31-28(34)24-8-6-22(7-9-24)23-10-14-29-15-11-23)25-4-3-5-26(18-25)27(33)30-19-21-12-16-32(2)17-13-21;1-30(27(33)21-11-9-19(10-12-21)20-13-15-28-16-14-20)25(18-31)22-5-4-6-23(17-22)26(32)29-24-7-2-3-8-24;29-16-23(20-3-1-4-21(15-20)25(31)27-22-5-2-6-22)28-24(30)19-9-7-17(8-10-19)18-11-13-26-14-12-18;29-15-22(18-4-3-5-19(12-18)24(31)27-21-6-1-2-7-21)28-23(30)17-10-8-16(9-11-17)20-13-25-26-14-20;/h2-12,14,16-18,29,36H,13,15,19-20H2,1H3,(H,33,38)(H,34,37);3-16,18,28,36H,17,19-20H2,1-2H3,(H,33,37)(H,34,38);2-11,13,15-16,27,35H,12,14,17-18H2,1H3,(H,30,33)(H,31,37)(H,32,36);3-11,14-15,18,20-21H,12-13,16-17,19H2,1-2H3,(H,30,33)(H,31,34);4-6,9-17,24-25,31H,2-3,7-8,18H2,1H3,(H,29,32);1,3-4,7-15,22-23,29H,2,5-6,16H2,(H,27,31)(H,28,30);3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,25,26)(H,27,31)(H,28,30);1H2/t29-;28-;27-;20-;25-;23-;22-;/m1111111./s1.
What are the key properties of N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane?
N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane has a molecular weight of 3280.01 g/mol, XLogP of 27.19, 52 rotatable bonds, 21 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane is sourced from PubChem (CID 159839792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).