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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane

C140H145N21O15S — CID 160841729

IUPACN-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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane
SMILESCN(C(=O)c1ccc(-c2ccncc2)cc1)[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.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.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4cccc(-c5ccn[nH]5)c4)c3)cc2C1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.S
InChIInChI=1S/C31H30N4O3.2C29H29N5O3.C27H29N3O3.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;1-34-13-11-19-8-9-25(16-24(19)17-34)31-28(36)22-6-3-5-21(15-22)27(18-35)32-29(37)23-7-2-4-20(14-23)26-10-12-30-33-26;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;1-30(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;29-15-22(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);2-10,12,14-16,27,35H,11,13,17-18H2,1H3,(H,30,33)(H,31,36)(H,32,37);2-11,13,15-16,27,35H,12,14,17-18H2,1H3,(H,30,33)(H,31,37)(H,32,36);4-6,9-17,24-25,31H,2-3,7-8,18H2,1H3,(H,29,32);3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,25,26)(H,27,31)(H,28,30);1H2/t29-;2*27-;25-;22-;/m11111./s1
InChIKeySICXXCLRGLTJKP-PCGXRGEPSA-N
MW2393.90 g/mol
LogP19.56
Rot. Bonds35

About 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane

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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane (PubChem CID 160841729) has the molecular formula C140H145N21O15S and a molecular weight of 2393.90 g/mol. Its IUPAC name is 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane.

Molecular Properties

Compound NameN-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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane
PubChem CID160841729
Molecular FormulaC140H145N21O15S
Molecular Weight2393.90 g/mol
Exact Mass2392.09
IUPAC NameN-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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane
SMILESCN(C(=O)c1ccc(-c2ccncc2)cc1)[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.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.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4cccc(-c5ccn[nH]5)c4)c3)cc2C1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.S
InChIInChI=1S/C31H30N4O3.2C29H29N5O3.C27H29N3O3.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;1-34-13-11-19-8-9-25(16-24(19)17-34)31-28(36)22-6-3-5-21(15-22)27(18-35)32-29(37)23-7-2-4-20(14-23)26-10-12-30-33-26;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;1-30(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;29-15-22(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);2-10,12,14-16,27,35H,11,13,17-18H2,1H3,(H,30,33)(H,31,36)(H,32,37);2-11,13,15-16,27,35H,12,14,17-18H2,1H3,(H,30,33)(H,31,37)(H,32,36);4-6,9-17,24-25,31H,2-3,7-8,18H2,1H3,(H,29,32);3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,25,26)(H,27,31)(H,28,30);1H2/t29-;2*27-;25-;22-;/m11111./s1
InChIKeySICXXCLRGLTJKP-PCGXRGEPSA-N
XLogP19.56
TPSA504.90 Ų
H-Bond Donors17
H-Bond Acceptors23
Rotatable Bonds35
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002393.90
LogP ≤ 519.56
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1023

Analyze 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane with MolForge

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Related Compounds

1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
CID 160312277
lithium;ethyl (2S)-2-amino-9-(5,6,7,8-tetrahydroquinolin-7-ylium-2-yl)nonanoate;ethyl (2S)-2-(1H-indazole-6-carbonylamino)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoate;(2S)-2-(1H-indazole-6-carbonylamino)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;3H-isoindole-5-carboxylic acid;methanol;oxolane;sulfane;hydroxide
CID 157134988
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-[(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-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 157473259
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
4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1H-pyrazol-5-yl)isoquinolin-8-amine
CID 158195845
6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrrolo[3,4-g]isoquinoline-5,7-dione;3-bromo-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-cyclohexyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(4-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 158317751
4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone
CID 158388142
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

Frequently Asked Questions

What is the IUPAC name of 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane?
The IUPAC name of 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane (CID 160841729) is 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane.
What is the SMILES notation for 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane?
The canonical SMILES for 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane is CN(C(=O)c1ccc(-c2ccncc2)cc1)[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.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.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4cccc(-c5ccn[nH]5)c4)c3)cc2C1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.S.
What is the InChIKey of 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane?
The InChIKey is SICXXCLRGLTJKP-PCGXRGEPSA-N. The full InChI is InChI=1S/C31H30N4O3.2C29H29N5O3.C27H29N3O3.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;1-34-13-11-19-8-9-25(16-24(19)17-34)31-28(36)22-6-3-5-21(15-22)27(18-35)32-29(37)23-7-2-4-20(14-23)26-10-12-30-33-26;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;1-30(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;29-15-22(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);2-10,12,14-16,27,35H,11,13,17-18H2,1H3,(H,30,33)(H,31,36)(H,32,37);2-11,13,15-16,27,35H,12,14,17-18H2,1H3,(H,30,33)(H,31,37)(H,32,36);4-6,9-17,24-25,31H,2-3,7-8,18H2,1H3,(H,29,32);3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,25,26)(H,27,31)(H,28,30);1H2/t29-;2*27-;25-;22-;/m11111./s1.
What are the key properties of 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane?
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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane has a molecular weight of 2393.90 g/mol, XLogP of 19.56, 35 rotatable bonds, 17 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;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;sulfane is sourced from PubChem (CID 160841729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).