N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane

C132H141N19O17S2 — CID 159131984

IUPACN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane
SMILESCN(C)Cc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)c1.COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.COc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2cccc(-c3cn[nH]c3)c2)c1.O=C(NCC1CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.S.S
InChIInChI=1S/C29H31N5O3.C29H27N3O4.C25H28N4O4.C25H25N3O3.C24H26N4O3.2H2S/c1-34(2)18-21-6-3-5-20(13-21)15-30-28(36)25-8-4-7-24(14-25)27(19-35)33-29(37)23-11-9-22(10-12-23)26-16-31-32-17-26;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;1-33-23-12-16(19-13-26-27-14-19)9-10-21(23)25(32)29-22(15-30)17-5-4-6-18(11-17)24(31)28-20-7-2-3-8-20;29-16-23(21-2-1-3-22(14-21)24(30)27-15-17-4-5-17)28-25(31)20-8-6-18(7-9-20)19-10-12-26-13-11-19;29-15-22(17-6-4-8-19(12-17)23(30)27-21-9-1-2-10-21)28-24(31)18-7-3-5-16(11-18)20-13-25-26-14-20;;/h3-14,16-17,27,35H,15,18-19H2,1-2H3,(H,30,36)(H,31,32)(H,33,37);2-17,27,33H,18-19H2,1H3,(H,31,34)(H,32,35);4-6,9-14,20,22,30H,2-3,7-8,15H2,1H3,(H,26,27)(H,28,31)(H,29,32);1-3,6-14,17,23,29H,4-5,15-16H2,(H,27,30)(H,28,31);3-8,11-14,21-22,29H,1-2,9-10,15H2,(H,25,26)(H,27,30)(H,28,31);2*1H2/t2*27-;22-;23-;22-;;/m11111../s1
InChIKeyKGZYWHVHCLPJCS-RMRZIFRKSA-N
MW2329.83 g/mol
LogP17.69
Rot. Bonds42

About N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane (PubChem CID 159131984) has the molecular formula C132H141N19O17S2 and a molecular weight of 2329.83 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane.

Molecular Properties

Compound NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane
PubChem CID159131984
Molecular FormulaC132H141N19O17S2
Molecular Weight2329.83 g/mol
Exact Mass2328.02
IUPAC NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane
SMILESCN(C)Cc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)c1.COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.COc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2cccc(-c3cn[nH]c3)c2)c1.O=C(NCC1CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.S.S
InChIInChI=1S/C29H31N5O3.C29H27N3O4.C25H28N4O4.C25H25N3O3.C24H26N4O3.2H2S/c1-34(2)18-21-6-3-5-20(13-21)15-30-28(36)25-8-4-7-24(14-25)27(19-35)33-29(37)23-11-9-22(10-12-23)26-16-31-32-17-26;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;1-33-23-12-16(19-13-26-27-14-19)9-10-21(23)25(32)29-22(15-30)17-5-4-6-18(11-17)24(31)28-20-7-2-3-8-20;29-16-23(21-2-1-3-22(14-21)24(30)27-15-17-4-5-17)28-25(31)20-8-6-18(7-9-20)19-10-12-26-13-11-19;29-15-22(17-6-4-8-19(12-17)23(30)27-21-9-1-2-10-21)28-24(31)18-7-3-5-16(11-18)20-13-25-26-14-20;;/h3-14,16-17,27,35H,15,18-19H2,1-2H3,(H,30,36)(H,31,32)(H,33,37);2-17,27,33H,18-19H2,1H3,(H,31,34)(H,32,35);4-6,9-14,20,22,30H,2-3,7-8,15H2,1H3,(H,26,27)(H,28,31)(H,29,32);1-3,6-14,17,23,29H,4-5,15-16H2,(H,27,30)(H,28,31);3-8,11-14,21-22,29H,1-2,9-10,15H2,(H,25,26)(H,27,30)(H,28,31);2*1H2/t2*27-;22-;23-;22-;;/m11111../s1
InChIKeyKGZYWHVHCLPJCS-RMRZIFRKSA-N
XLogP17.69
TPSA525.67 Ų
H-Bond Donors18
H-Bond Acceptors23
Rotatable Bonds42
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002329.83
LogP ≤ 517.69
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1023

Analyze N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane with MolForge

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Related Compounds

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-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-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]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;sulfane
CID 159326653
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-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-[(1S)-1-[3-[[3-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)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;sulfane
CID 162068597
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;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-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(2-methoxyethyl)-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 157154065
N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-(2-methoxyethoxy)-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-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;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide
CID 158144699
N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
CID 158456078
6-[2-[[butan-2-yl-[4-(furan-2-yl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[butan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[butan-2-yl-(4-pyridin-4-ylbenzoyl)amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriobutan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriobutan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriobutan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
CID 158780656
N-cyclohexyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)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 158804490
6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
CID 158821454
6-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-3-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
CID 159022209
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-5-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide
CID 159050798
N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-5-pyridin-4-ylbenzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;sulfane
CID 159455150
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide
CID 159555667

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane?
The IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane (CID 159131984) is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane.
What is the SMILES notation for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane?
The canonical SMILES for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane is CN(C)Cc1cccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)c1.COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.COc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2cccc(-c3cn[nH]c3)c2)c1.O=C(NCC1CC1)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-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane?
The InChIKey is KGZYWHVHCLPJCS-RMRZIFRKSA-N. The full InChI is InChI=1S/C29H31N5O3.C29H27N3O4.C25H28N4O4.C25H25N3O3.C24H26N4O3.2H2S/c1-34(2)18-21-6-3-5-20(13-21)15-30-28(36)25-8-4-7-24(14-25)27(19-35)33-29(37)23-11-9-22(10-12-23)26-16-31-32-17-26;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;1-33-23-12-16(19-13-26-27-14-19)9-10-21(23)25(32)29-22(15-30)17-5-4-6-18(11-17)24(31)28-20-7-2-3-8-20;29-16-23(21-2-1-3-22(14-21)24(30)27-15-17-4-5-17)28-25(31)20-8-6-18(7-9-20)19-10-12-26-13-11-19;29-15-22(17-6-4-8-19(12-17)23(30)27-21-9-1-2-10-21)28-24(31)18-7-3-5-16(11-18)20-13-25-26-14-20;;/h3-14,16-17,27,35H,15,18-19H2,1-2H3,(H,30,36)(H,31,32)(H,33,37);2-17,27,33H,18-19H2,1H3,(H,31,34)(H,32,35);4-6,9-14,20,22,30H,2-3,7-8,15H2,1H3,(H,26,27)(H,28,31)(H,29,32);1-3,6-14,17,23,29H,4-5,15-16H2,(H,27,30)(H,28,31);3-8,11-14,21-22,29H,1-2,9-10,15H2,(H,25,26)(H,27,30)(H,28,31);2*1H2/t2*27-;22-;23-;22-;;/m11111../s1.
What are the key properties of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane?
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane has a molecular weight of 2329.83 g/mol, XLogP of 17.69, 42 rotatable bonds, 18 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-(cyclopropylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(4-methoxyphenyl)methyl]benzamide;sulfane is sourced from PubChem (CID 159131984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).