N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane

C195H211FN24O25S2 — CID 158988593

IUPACN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane
SMILESC=C(NC)N1CCC(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.COC(=O)N1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.COC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.COc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.Cc1cc(-c2ccncc2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2F)c1.O=C(NCC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.S.S
InChIInChI=1S/C30H35N5O3.C29H27N3O4.C28H30N4O5.C28H31N3O4.2C27H29N3O3.C26H26FN3O3.2H2S/c1-21(31-2)35-16-12-22(13-17-35)19-33-29(37)27-5-3-4-26(18-27)28(20-36)34-30(38)25-8-6-23(7-9-25)24-10-14-32-15-11-24;1-36-26-11-5-20(6-12-26)18-31-28(34)25-4-2-3-24(17-25)27(19-33)32-29(35)23-9-7-21(8-10-23)22-13-15-30-16-14-22;1-37-28(36)32-15-11-24(12-16-32)30-27(35)23-4-2-3-22(17-23)25(18-33)31-26(34)21-7-5-19(6-8-21)20-9-13-29-14-10-20;1-35-28(13-2-3-14-28)19-30-26(33)24-6-4-5-23(17-24)25(18-32)31-27(34)22-9-7-20(8-10-22)21-11-15-29-16-12-21;1-18-15-20(19-11-13-28-14-12-19)9-10-24(18)27(33)30-25(17-31)21-5-4-6-22(16-21)26(32)29-23-7-2-3-8-23;31-18-25(23-6-3-7-24(16-23)26(32)29-17-19-4-1-2-5-19)30-27(33)22-10-8-20(9-11-22)21-12-14-28-15-13-21;27-23-15-18(17-10-12-28-13-11-17)8-9-22(23)26(33)30-24(16-31)19-4-3-5-20(14-19)25(32)29-21-6-1-2-7-21;;/h3-11,14-15,18,22,28,31,36H,1,12-13,16-17,19-20H2,2H3,(H,33,37)(H,34,38);2-17,27,33H,18-19H2,1H3,(H,31,34)(H,32,35);2-10,13-14,17,24-25,33H,11-12,15-16,18H2,1H3,(H,30,35)(H,31,34);4-12,15-17,25,32H,2-3,13-14,18-19H2,1H3,(H,30,33)(H,31,34);4-6,9-16,23,25,31H,2-3,7-8,17H2,1H3,(H,29,32)(H,30,33);3,6-16,19,25,31H,1-2,4-5,17-18H2,(H,29,32)(H,30,33);3-5,8-15,21,24,31H,1-2,6-7,16H2,(H,29,32)(H,30,33);2*1H2/t28-;27-;4*25-;24-;;/m1111111../s1
InChIKeyJPWOJJYATWBTAQ-UMHAWZNVSA-N
MW3374.11 g/mol
LogP27.14
Rot. Bonds57

About N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane (PubChem CID 158988593) has the molecular formula C195H211FN24O25S2 and a molecular weight of 3374.11 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane.

Molecular Properties

Compound NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane
PubChem CID158988593
Molecular FormulaC195H211FN24O25S2
Molecular Weight3374.11 g/mol
Exact Mass3371.54
IUPAC NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane
SMILESC=C(NC)N1CCC(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.COC(=O)N1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.COC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.COc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.Cc1cc(-c2ccncc2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2F)c1.O=C(NCC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.S.S
InChIInChI=1S/C30H35N5O3.C29H27N3O4.C28H30N4O5.C28H31N3O4.2C27H29N3O3.C26H26FN3O3.2H2S/c1-21(31-2)35-16-12-22(13-17-35)19-33-29(37)27-5-3-4-26(18-27)28(20-36)34-30(38)25-8-6-23(7-9-25)24-10-14-32-15-11-24;1-36-26-11-5-20(6-12-26)18-31-28(34)25-4-2-3-24(17-25)27(19-33)32-29(35)23-9-7-21(8-10-23)22-13-15-30-16-14-22;1-37-28(36)32-15-11-24(12-16-32)30-27(35)23-4-2-3-22(17-23)25(18-33)31-26(34)21-7-5-19(6-8-21)20-9-13-29-14-10-20;1-35-28(13-2-3-14-28)19-30-26(33)24-6-4-5-23(17-24)25(18-32)31-27(34)22-9-7-20(8-10-22)21-11-15-29-16-12-21;1-18-15-20(19-11-13-28-14-12-19)9-10-24(18)27(33)30-25(17-31)21-5-4-6-22(16-21)26(32)29-23-7-2-3-8-23;31-18-25(23-6-3-7-24(16-23)26(32)29-17-19-4-1-2-5-19)30-27(33)22-10-8-20(9-11-22)21-12-14-28-15-13-21;27-23-15-18(17-10-12-28-13-11-17)8-9-22(23)26(33)30-24(16-31)19-4-3-5-20(14-19)25(32)29-21-6-1-2-7-21;;/h3-11,14-15,18,22,28,31,36H,1,12-13,16-17,19-20H2,2H3,(H,33,37)(H,34,38);2-17,27,33H,18-19H2,1H3,(H,31,34)(H,32,35);2-10,13-14,17,24-25,33H,11-12,15-16,18H2,1H3,(H,30,35)(H,31,34);4-12,15-17,25,32H,2-3,13-14,18-19H2,1H3,(H,30,33)(H,31,34);4-6,9-16,23,25,31H,2-3,7-8,17H2,1H3,(H,29,32)(H,30,33);3,6-16,19,25,31H,1-2,4-5,17-18H2,(H,29,32)(H,30,33);3-5,8-15,21,24,31H,1-2,6-7,16H2,(H,29,32)(H,30,33);2*1H2/t28-;27-;4*25-;24-;;/m1111111../s1
InChIKeyJPWOJJYATWBTAQ-UMHAWZNVSA-N
XLogP27.14
TPSA702.51 Ų
H-Bond Donors22
H-Bond Acceptors34
Rotatable Bonds57
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003374.11
LogP ≤ 527.14
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1034

Analyze N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane with MolForge

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Related Compounds

3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate
CID 157207160
N-cyclopropyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-(1-methoxyethenyl)piperidin-4-yl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate
CID 158915943
N-(cyclobutylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-5-pyridin-4-ylbenzamide;N-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(3-methoxyphenyl)methyl]benzamide;sulfane
CID 157628923
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[(dimethylamino)methyl]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(2-methoxyethyl)-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 158980786
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-(1-methoxyethenyl)piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane
CID 159447464
[2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide
CID 159755502
bis(N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide);N-[2-(dimethylamino)ethyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(3-methoxyphenyl)methyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;methane
CID 160377073
N-(cyclobutylmethyl)-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-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(3-methoxyphenyl)methyl]benzamide;sulfane
CID 161093823
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-(1-methoxyethenyl)piperidin-4-yl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane
CID 161362646
N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-(diethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 161431176
N-(1-acetylpiperidin-4-yl)-4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide;tert-butyl 4-[[4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzoyl]amino]piperidine-1-carboxylate;N-(1-ethylpiperidin-4-yl)-4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide;N-(1-methylpiperidin-4-yl)-4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide;N-piperidin-4-yl-4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 161580541
[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-[5-[bis(2-hydroxyethyl)carbamoyl]-2-methoxy-4-pyridinyl]-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(2-fluoro-5-methoxyphenyl)cyclohexane-1-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-[5-(2-hydroxyethylcarbamoyl)-2-methoxy-4-pyridinyl]-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-4-(2-methoxy-4-pyridinyl)benzoate;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]benzoate;methyl 4-[4-[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenoxy]carbonyl-2-[[di(propan-2-yl)amino]methyl]phenyl]-6-methoxypyridine-3-carboxylate
CID 164978555

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane?
The IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane (CID 158988593) is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane.
What is the SMILES notation for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane?
The canonical SMILES for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane is C=C(NC)N1CCC(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.COC(=O)N1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.COC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.COc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.Cc1cc(-c2ccncc2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2F)c1.O=C(NCC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.S.S.
What is the InChIKey of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane?
The InChIKey is JPWOJJYATWBTAQ-UMHAWZNVSA-N. The full InChI is InChI=1S/C30H35N5O3.C29H27N3O4.C28H30N4O5.C28H31N3O4.2C27H29N3O3.C26H26FN3O3.2H2S/c1-21(31-2)35-16-12-22(13-17-35)19-33-29(37)27-5-3-4-26(18-27)28(20-36)34-30(38)25-8-6-23(7-9-25)24-10-14-32-15-11-24;1-36-26-11-5-20(6-12-26)18-31-28(34)25-4-2-3-24(17-25)27(19-33)32-29(35)23-9-7-21(8-10-23)22-13-15-30-16-14-22;1-37-28(36)32-15-11-24(12-16-32)30-27(35)23-4-2-3-22(17-23)25(18-33)31-26(34)21-7-5-19(6-8-21)20-9-13-29-14-10-20;1-35-28(13-2-3-14-28)19-30-26(33)24-6-4-5-23(17-24)25(18-32)31-27(34)22-9-7-20(8-10-22)21-11-15-29-16-12-21;1-18-15-20(19-11-13-28-14-12-19)9-10-24(18)27(33)30-25(17-31)21-5-4-6-22(16-21)26(32)29-23-7-2-3-8-23;31-18-25(23-6-3-7-24(16-23)26(32)29-17-19-4-1-2-5-19)30-27(33)22-10-8-20(9-11-22)21-12-14-28-15-13-21;27-23-15-18(17-10-12-28-13-11-17)8-9-22(23)26(33)30-24(16-31)19-4-3-5-20(14-19)25(32)29-21-6-1-2-7-21;;/h3-11,14-15,18,22,28,31,36H,1,12-13,16-17,19-20H2,2H3,(H,33,37)(H,34,38);2-17,27,33H,18-19H2,1H3,(H,31,34)(H,32,35);2-10,13-14,17,24-25,33H,11-12,15-16,18H2,1H3,(H,30,35)(H,31,34);4-12,15-17,25,32H,2-3,13-14,18-19H2,1H3,(H,30,33)(H,31,34);4-6,9-16,23,25,31H,2-3,7-8,17H2,1H3,(H,29,32)(H,30,33);3,6-16,19,25,31H,1-2,4-5,17-18H2,(H,29,32)(H,30,33);3-5,8-15,21,24,31H,1-2,6-7,16H2,(H,29,32)(H,30,33);2*1H2/t28-;27-;4*25-;24-;;/m1111111../s1.
What are the key properties of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane?
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane has a molecular weight of 3374.11 g/mol, XLogP of 27.14, 57 rotatable bonds, 22 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-pyridin-4-ylbenzamide;N-(cyclopentylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-[1-(methylamino)ethenyl]piperidin-4-yl]methyl]benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate;sulfane is sourced from PubChem (CID 158988593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).