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

C138H147N15O18S — CID 161093823

IUPACN-(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
SMILESCOCC1(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.COc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.Cc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NCC1(O)CCCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCC1CCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.S
InChIInChI=1S/C29H27N3O4.2C28H31N3O4.C27H29N3O3.C26H27N3O3.H2S/c1-36-26-7-2-4-20(16-26)18-31-28(34)25-6-3-5-24(17-25)27(19-33)32-29(35)23-10-8-21(9-11-23)22-12-14-30-15-13-22;1-35-19-28(13-2-3-14-28)31-27(34)24-6-4-5-23(17-24)25(18-32)30-26(33)22-9-7-20(8-10-22)21-11-15-29-16-12-21;32-18-25(31-27(34)22-9-7-20(8-10-22)21-11-15-29-16-12-21)23-5-4-6-24(17-23)26(33)30-19-28(35)13-2-1-3-14-28;1-18-9-10-20(19-11-13-28-14-12-19)16-24(18)27(33)30-25(17-31)21-5-4-6-22(15-21)26(32)29-23-7-2-3-8-23;30-17-24(22-5-2-6-23(15-22)25(31)28-16-18-3-1-4-18)29-26(32)21-9-7-19(8-10-21)20-11-13-27-14-12-20;/h2-17,27,33H,18-19H2,1H3,(H,31,34)(H,32,35);4-12,15-17,25,32H,2-3,13-14,18-19H2,1H3,(H,30,33)(H,31,34);4-12,15-17,25,32,35H,1-3,13-14,18-19H2,(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);2,5-15,18,24,30H,1,3-4,16-17H2,(H,28,31)(H,29,32);1H2/t27-;3*25-;24-;/m11111./s1
InChIKeyUHNGWFJVZQUEAR-PDGIAIMTSA-N
MW2335.85 g/mol
LogP19.74
Rot. Bonds41

About 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

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 (PubChem CID 161093823) has the molecular formula C138H147N15O18S and a molecular weight of 2335.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID161093823
Molecular FormulaC138H147N15O18S
Molecular Weight2335.85 g/mol
Exact Mass2334.08
IUPAC NameN-(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
SMILESCOCC1(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.COc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.Cc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NCC1(O)CCCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCC1CCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.S
InChIInChI=1S/C29H27N3O4.2C28H31N3O4.C27H29N3O3.C26H27N3O3.H2S/c1-36-26-7-2-4-20(16-26)18-31-28(34)25-6-3-5-24(17-25)27(19-33)32-29(35)23-10-8-21(9-11-23)22-12-14-30-15-13-22;1-35-19-28(13-2-3-14-28)31-27(34)24-6-4-5-23(17-24)25(18-32)30-26(33)22-9-7-20(8-10-22)21-11-15-29-16-12-21;32-18-25(31-27(34)22-9-7-20(8-10-22)21-11-15-29-16-12-21)23-5-4-6-24(17-23)26(33)30-19-28(35)13-2-1-3-14-28;1-18-9-10-20(19-11-13-28-14-12-19)16-24(18)27(33)30-25(17-31)21-5-4-6-22(15-21)26(32)29-23-7-2-3-8-23;30-17-24(22-5-2-6-23(15-22)25(31)28-16-18-3-1-4-18)29-26(32)21-9-7-19(8-10-21)20-11-13-27-14-12-20;/h2-17,27,33H,18-19H2,1H3,(H,31,34)(H,32,35);4-12,15-17,25,32H,2-3,13-14,18-19H2,1H3,(H,30,33)(H,31,34);4-12,15-17,25,32,35H,1-3,13-14,18-19H2,(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);2,5-15,18,24,30H,1,3-4,16-17H2,(H,28,31)(H,29,32);1H2/t27-;3*25-;24-;/m11111./s1
InChIKeyUHNGWFJVZQUEAR-PDGIAIMTSA-N
XLogP19.74
TPSA495.29 Ų
H-Bond Donors16
H-Bond Acceptors23
Rotatable Bonds41
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002335.85
LogP ≤ 519.74
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Related Compounds

3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 134474976
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
(2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid
CID 159203596
N-[2-(dimethylamino)ethyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 134475005
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
4-[(3-tert-butyl-5-methoxyphenyl)methyl]oxane;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-[(3-tert-butylphenyl)methyl]-2,2-dimethyloxane;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;4-[1-(3-tert-butylphenyl)propan-2-yl]oxane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine
CID 157958771
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;N-[[3-(dimethylamino)phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[4-(dimethylamino)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;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide
CID 158820605
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-[(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
2,5-dimethylbenzoic acid;ethyl (3R)-3-[2-(2,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(6-methoxy-4-methyl-3-pyridinyl)propanoate;ethyl (3S)-3-[2-(2,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(6-methoxy-4-methyl-3-pyridinyl)propanoate;ethyl 3-(6-methoxy-4-methyl-3-pyridinyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanoate
CID 159195435
N,4-dimethyl-5-propan-2-ylpyridine-2-carboxamide;1-ethyl-2-fluoro-3-methyl-4-propan-2-ylbenzene;2-ethyl-4-methyl-5-propan-2-ylpyridine;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylmorpholine;3-methyl-4-propan-2-yloxolane;2-(4-methyl-5-propan-2-yl-2-pyridinyl)propan-2-ol;propan-2-ylcyclobutane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;(2S)-2-propan-2-yloxolane;(2R)-2-propan-2-yloxolane;(1-propan-2-ylpiperidin-3-yl)methanol;(3-propan-2-yl-4-pyridinyl)methanol
CID 159417642
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCC1(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.COc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.Cc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NCC1(O)CCCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCC1CCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.S.
What is the InChIKey of 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?
The InChIKey is UHNGWFJVZQUEAR-PDGIAIMTSA-N. The full InChI is InChI=1S/C29H27N3O4.2C28H31N3O4.C27H29N3O3.C26H27N3O3.H2S/c1-36-26-7-2-4-20(16-26)18-31-28(34)25-6-3-5-24(17-25)27(19-33)32-29(35)23-10-8-21(9-11-23)22-12-14-30-15-13-22;1-35-19-28(13-2-3-14-28)31-27(34)24-6-4-5-23(17-24)25(18-32)30-26(33)22-9-7-20(8-10-22)21-11-15-29-16-12-21;32-18-25(31-27(34)22-9-7-20(8-10-22)21-11-15-29-16-12-21)23-5-4-6-24(17-23)26(33)30-19-28(35)13-2-1-3-14-28;1-18-9-10-20(19-11-13-28-14-12-19)16-24(18)27(33)30-25(17-31)21-5-4-6-22(15-21)26(32)29-23-7-2-3-8-23;30-17-24(22-5-2-6-23(15-22)25(31)28-16-18-3-1-4-18)29-26(32)21-9-7-19(8-10-21)20-11-13-27-14-12-20;/h2-17,27,33H,18-19H2,1H3,(H,31,34)(H,32,35);4-12,15-17,25,32H,2-3,13-14,18-19H2,1H3,(H,30,33)(H,31,34);4-12,15-17,25,32,35H,1-3,13-14,18-19H2,(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);2,5-15,18,24,30H,1,3-4,16-17H2,(H,28,31)(H,29,32);1H2/t27-;3*25-;24-;/m11111./s1.
What are the key properties of 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?
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 has a molecular weight of 2335.85 g/mol, XLogP of 19.74, 41 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161093823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).