N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C139H183ClF3N21O20S7 — CID 159334248

IUPACN-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cn2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)nc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)c(Cl)c2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2C(F)(F)F)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2CCC)cc1
InChIInChI=1S/C21H30N4O3S.C21H28N2O3S.C21H28N2O2S.C19H24ClN3O3S.C19H23F3N4O3S.2C19H25N3O3S/c1-5-7-9-16-10-12-17(13-11-16)23-20(26)18-14-22-21(24-19(18)8-6-2)25-29(27,28)15(3)4;1-5-6-7-16-8-12-18(13-9-16)22-20(24)17-10-14-19(15-11-17)23-27(25,26)21(2,3)4;1-5-6-7-16-8-12-18(13-9-16)22-20(24)17-10-14-19(15-11-17)23-26(25)21(2,3)4;1-4-5-6-14-7-9-16(10-8-14)22-19(24)15-11-17(20)18(21-12-15)23-27(25,26)13(2)3;1-4-5-6-13-7-9-14(10-8-13)24-17(27)15-11-23-18(25-16(15)19(20,21)22)26-30(28,29)12(2)3;1-4-5-6-15-7-10-17(11-8-15)21-19(23)16-9-12-18(20-13-16)22-26(24,25)14(2)3;1-4-5-6-15-7-9-16(10-8-15)21-19(23)18-12-11-17(13-20-18)22-26(24,25)14(2)3/h10-15H,5-9H2,1-4H3,(H,23,26)(H,22,24,25);8-15,23H,5-7H2,1-4H3,(H,22,24);8-15,23H,5-7H2,1-4H3,(H,22,24);7-13H,4-6H2,1-3H3,(H,21,23)(H,22,24);7-12H,4-6H2,1-3H3,(H,24,27)(H,23,25,26);7-14H,4-6H2,1-3H3,(H,20,22)(H,21,23);7-14,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyLFIDAPRBSMDVHP-UHFFFAOYSA-N
MW2785.04 g/mol
LogP30.52
Rot. Bonds56

About N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide

N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 159334248) has the molecular formula C139H183ClF3N21O20S7 and a molecular weight of 2785.04 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID159334248
Molecular FormulaC139H183ClF3N21O20S7
Molecular Weight2785.04 g/mol
Exact Mass2782.16
IUPAC NameN-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cn2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)nc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)c(Cl)c2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2C(F)(F)F)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2CCC)cc1
InChIInChI=1S/C21H30N4O3S.C21H28N2O3S.C21H28N2O2S.C19H24ClN3O3S.C19H23F3N4O3S.2C19H25N3O3S/c1-5-7-9-16-10-12-17(13-11-16)23-20(26)18-14-22-21(24-19(18)8-6-2)25-29(27,28)15(3)4;1-5-6-7-16-8-12-18(13-9-16)22-20(24)17-10-14-19(15-11-17)23-27(25,26)21(2,3)4;1-5-6-7-16-8-12-18(13-9-16)22-20(24)17-10-14-19(15-11-17)23-26(25)21(2,3)4;1-4-5-6-14-7-9-16(10-8-14)22-19(24)15-11-17(20)18(21-12-15)23-27(25,26)13(2)3;1-4-5-6-13-7-9-14(10-8-13)24-17(27)15-11-23-18(25-16(15)19(20,21)22)26-30(28,29)12(2)3;1-4-5-6-15-7-10-17(11-8-15)21-19(23)16-9-12-18(20-13-16)22-26(24,25)14(2)3;1-4-5-6-15-7-9-16(10-8-15)21-19(23)18-12-11-17(13-20-18)22-26(24,25)14(2)3/h10-15H,5-9H2,1-4H3,(H,23,26)(H,22,24,25);8-15,23H,5-7H2,1-4H3,(H,22,24);8-15,23H,5-7H2,1-4H3,(H,22,24);7-13H,4-6H2,1-3H3,(H,21,23)(H,22,24);7-12H,4-6H2,1-3H3,(H,24,27)(H,23,25,26);7-14H,4-6H2,1-3H3,(H,20,22)(H,21,23);7-14,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyLFIDAPRBSMDVHP-UHFFFAOYSA-N
XLogP30.52
TPSA600.05 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds56
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002785.04
LogP ≤ 530.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Analyze N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

CID 157796405
CID 157796405
N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;bis(N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide);N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(cyclopentylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(cyclopentylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylbutan-2-ylsulfonylamino)pentanamide;N-(4-butylphenyl)-N-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylpropylsulfonylamino)pentanamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(trichloromethylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
CID 158633161
[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;N-[2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethyl]acetamide;N-[2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethyl]methanesulfonamide;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethyl-4-pyridin-1-ium-4-ylphenyl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;hydroxide
CID 159182104
N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone
CID 159214647
[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine
CID 159253707
N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-[2-chloropropan-2-ylsulfinyl(methyl)amino]benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 159414452
4-[[3-(tert-butylsulfonylmethyl)-4-chlorophenyl]methyl]-N-[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-[[4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-5-methylpyrimidin-2-yl]amino]-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 159476025
N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylmethyl)benzamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide;molecular hydrogen
CID 159478747
[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;N-[2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethyl]acetamide;N-[2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethyl]methanesulfonamide;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 159495475
N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methylbenzamide;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 160184760
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-bromopyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide
CID 160379747
N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-fluoropyridine-2-carboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyrazine-2-carboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]pyridine-2-carboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 160409667

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 159334248) is N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cn2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)nc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)c(Cl)c2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2C(F)(F)F)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2CCC)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is LFIDAPRBSMDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S.C21H28N2O3S.C21H28N2O2S.C19H24ClN3O3S.C19H23F3N4O3S.2C19H25N3O3S/c1-5-7-9-16-10-12-17(13-11-16)23-20(26)18-14-22-21(24-19(18)8-6-2)25-29(27,28)15(3)4;1-5-6-7-16-8-12-18(13-9-16)22-20(24)17-10-14-19(15-11-17)23-27(25,26)21(2,3)4;1-5-6-7-16-8-12-18(13-9-16)22-20(24)17-10-14-19(15-11-17)23-26(25)21(2,3)4;1-4-5-6-14-7-9-16(10-8-14)22-19(24)15-11-17(20)18(21-12-15)23-27(25,26)13(2)3;1-4-5-6-13-7-9-14(10-8-13)24-17(27)15-11-23-18(25-16(15)19(20,21)22)26-30(28,29)12(2)3;1-4-5-6-15-7-10-17(11-8-15)21-19(23)16-9-12-18(20-13-16)22-26(24,25)14(2)3;1-4-5-6-15-7-9-16(10-8-15)21-19(23)18-12-11-17(13-20-18)22-26(24,25)14(2)3/h10-15H,5-9H2,1-4H3,(H,23,26)(H,22,24,25);8-15,23H,5-7H2,1-4H3,(H,22,24);8-15,23H,5-7H2,1-4H3,(H,22,24);7-13H,4-6H2,1-3H3,(H,21,23)(H,22,24);7-12H,4-6H2,1-3H3,(H,24,27)(H,23,25,26);7-14H,4-6H2,1-3H3,(H,20,22)(H,21,23);7-14,22H,4-6H2,1-3H3,(H,21,23).
What are the key properties of N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 2785.04 g/mol, XLogP of 30.52, 56 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 159334248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).