N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide

C131H187N19O25S10 — CID 157235815

IUPACN-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c1.CC(C)S(=O)(=O)NC1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C22H29N3O3S.C20H31N3O4S.C19H28N2O3S.C18H29N3O5S2.C18H24N2O3S2.C17H23N3O4S.C17H23N3O3S2/c1-16(2)29(27,28)25-21-9-5-19(6-10-21)22(26)24-20-7-3-17(4-8-20)15-18-11-13-23-14-12-18;1-13(2)21-20(25)16-6-5-7-18(12-16)22-19(24)15-8-10-17(11-9-15)23-28(26,27)14(3)4;1-13(2)25(23,24)21-17-9-7-15(8-10-17)19(22)20-18-11-6-14-4-3-5-16(14)12-18;1-13(2)28(25,26)21-16-7-5-15(6-8-16)18(22)20-12-11-14-3-9-17(10-4-14)27(19,23)24;1-12(2)25(22,23)20-15-5-3-13(4-6-15)18(21)19-16-7-8-17-14(11-16)9-10-24-17;1-11(2)25(22,23)20-13-5-3-12(4-6-13)17(21)19-14-7-8-16-15(9-14)18-10-24-16;1-11(2)25(22,23)20-13-5-3-12(4-6-13)17(21)19-14-7-8-15-16(9-14)24-10-18-15/h3-4,7-8,11-14,16,19,21,25H,5-6,9-10,15H2,1-2H3,(H,24,26);5-7,12-15,17,23H,8-11H2,1-4H3,(H,21,25)(H,22,24);6,11-13,15,17,21H,3-5,7-10H2,1-2H3,(H,20,22);3-4,9-10,13,15-16,21H,5-8,11-12H2,1-2H3,(H,20,22)(H2,19,23,24);7-13,15,20H,3-6H2,1-2H3,(H,19,21);2*7-13,20H,3-6H2,1-2H3,(H,19,21)
InChIKeyAUPUVTQNRJNDSY-UHFFFAOYSA-N
MW2748.71 g/mol
LogP19.53
Rot. Bonds42

About N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide

N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 157235815) has the molecular formula C131H187N19O25S10 and a molecular weight of 2748.71 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID157235815
Molecular FormulaC131H187N19O25S10
Molecular Weight2748.71 g/mol
Exact Mass2746.12
IUPAC NameN-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c1.CC(C)S(=O)(=O)NC1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C22H29N3O3S.C20H31N3O4S.C19H28N2O3S.C18H29N3O5S2.C18H24N2O3S2.C17H23N3O4S.C17H23N3O3S2/c1-16(2)29(27,28)25-21-9-5-19(6-10-21)22(26)24-20-7-3-17(4-8-20)15-18-11-13-23-14-12-18;1-13(2)21-20(25)16-6-5-7-18(12-16)22-19(24)15-8-10-17(11-9-15)23-28(26,27)14(3)4;1-13(2)25(23,24)21-17-9-7-15(8-10-17)19(22)20-18-11-6-14-4-3-5-16(14)12-18;1-13(2)28(25,26)21-16-7-5-15(6-8-16)18(22)20-12-11-14-3-9-17(10-4-14)27(19,23)24;1-12(2)25(22,23)20-15-5-3-13(4-6-15)18(21)19-16-7-8-17-14(11-16)9-10-24-17;1-11(2)25(22,23)20-13-5-3-12(4-6-13)17(21)19-14-7-8-16-15(9-14)18-10-24-16;1-11(2)25(22,23)20-13-5-3-12(4-6-13)17(21)19-14-7-8-15-16(9-14)24-10-18-15/h3-4,7-8,11-14,16,19,21,25H,5-6,9-10,15H2,1-2H3,(H,24,26);5-7,12-15,17,23H,8-11H2,1-4H3,(H,21,25)(H,22,24);6,11-13,15,17,21H,3-5,7-10H2,1-2H3,(H,20,22);3-4,9-10,13,15-16,21H,5-8,11-12H2,1-2H3,(H,20,22)(H2,19,23,24);7-13,15,20H,3-6H2,1-2H3,(H,19,21);2*7-13,20H,3-6H2,1-2H3,(H,19,21)
InChIKeyAUPUVTQNRJNDSY-UHFFFAOYSA-N
XLogP19.53
TPSA667.96 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002748.71
LogP ≤ 519.53
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Analyze N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 158884592
4-[2-(5-aminopentylamino)ethyl]benzenesulfonamide;N'-(1,3-benzothiazol-6-yl)pentane-1,5-diamine;N'-(1-benzothiophen-5-yl)pentane-1,5-diamine;N'-(1,3-benzoxazol-5-yl)pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-[4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine
CID 160715087
N-(1,3-benzothiazol-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;3-methyl-N-(7-methyl-1,3-benzodioxol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;5-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 157066078
1-amino-7,8-dihydrocyclopenta[f]quinolin-9-one;1-amino-8,9-dihydrocyclopenta[f]quinolin-7-one;9-amino-1,2-dihydropyrrolo[3,4-f]quinolin-3-one;9-amino-2,3-dihydropyrrolo[3,4-f]quinolin-1-one;9-amino-1H-furo[3,4-f]quinolin-3-one;9-amino-3H-furo[3,4-f]quinolin-1-one;9-aminopyrrolo[3,4-f]quinolin-1-one;9-aminopyrrolo[3,4-f]quinolin-3-one;argon;8,9-dihydro-7H-cyclopenta[f]quinolin-1-amine;bis(1,1-dioxo-[1,2]thiazolo[5,4-f]quinolin-9-amine);3,3-dioxo-[1,3]thiazolo[4,5-f]quinolin-9-amine;3-imino-3-oxo-[1,3]thiazolo[4,5-f]quinolin-9-amine;2-methyl-[1,3]thiazolo[4,5-f]quinolin-9-amine;2-methyl-[1,3]thiazolo[5,4-f]quinolin-9-amine;[1,3]oxazolo[4,5-f]quinolin-9-amine;3-oxo-[1,3]thiazolo[4,5-f]quinolin-9-amine;[1,3]thiazolo[4,5-f]quinolin-9-amine
CID 157096251
4-[2-(5-aminopentylamino)ethyl]benzenesulfonamide;N'-(1,3-benzothiazol-6-yl)pentane-1,5-diamine;N'-(1-benzothiophen-5-yl)pentane-1,5-diamine;N'-(1,3-benzoxazol-5-yl)pentane-1,5-diamine;3-[5-(tert-butylsulfonylamino)pentylamino]-N-propan-2-ylbenzamide;2-methyl-N-[5-[(3-methyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]propane-2-sulfonamide;hexakis(2-methylpropane-2-sulfinate);N'-[4-(pyridin-4-ylmethyl)phenyl]pentane-1,5-diamine;N'-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine
CID 157405408
5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate)
CID 157437566
4-[2-(5-aminopentylamino)ethyl]benzenesulfonamide;3-(5-aminopentylamino)-N-propan-2-ylbenzamide;N'-(1,3-benzothiazol-6-yl)pentane-1,5-diamine;N'-(1-benzothiophen-5-yl)pentane-1,5-diamine;N'-(1,3-benzoxazol-5-yl)pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-[4-(pyridin-4-ylmethyl)phenyl]pentane-1,5-diamine
CID 157499568
4-[2-[(4-aminophenyl)methylamino]ethyl]benzenesulfonamide;N-[(4-aminophenyl)methyl]-3,4,5-trimethoxyaniline;N-[4-[(1,3-benzoxazol-5-ylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[[(7-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(7-methyl-1-benzothiophen-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;bis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(pyridin-4-ylmethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 157671417
N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
CID 157722842
3-heptylbenzamide;6-heptyl-1,3-benzothiazole;5-heptyl-1,3-benzoxazole;5-heptyl-2,3-dihydro-1H-indene;4-[(4-heptylphenyl)methyl]pyridine;3-heptyl-N-propan-2-ylbenzamide;hexakis(2-methylpropane-2-sulfinate)
CID 157809099
6-heptyl-1,3-benzothiazole;5-heptyl-1,3-benzoxazole;5-heptyl-2,3-dihydro-1H-indene;4-[(4-heptylphenyl)methyl]pyridine;3-heptyl-N-propan-2-ylbenzamide;hexakis(2-methylpropane-2-sulfinate);4-nonylbenzenesulfonamide
CID 157958715
N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 158240303

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide (CID 157235815) is N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide is CC(C)NC(=O)c1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c1.CC(C)S(=O)(=O)NC1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3sccc3c2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is AUPUVTQNRJNDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S.C20H31N3O4S.C19H28N2O3S.C18H29N3O5S2.C18H24N2O3S2.C17H23N3O4S.C17H23N3O3S2/c1-16(2)29(27,28)25-21-9-5-19(6-10-21)22(26)24-20-7-3-17(4-8-20)15-18-11-13-23-14-12-18;1-13(2)21-20(25)16-6-5-7-18(12-16)22-19(24)15-8-10-17(11-9-15)23-28(26,27)14(3)4;1-13(2)25(23,24)21-17-9-7-15(8-10-17)19(22)20-18-11-6-14-4-3-5-16(14)12-18;1-13(2)28(25,26)21-16-7-5-15(6-8-16)18(22)20-12-11-14-3-9-17(10-4-14)27(19,23)24;1-12(2)25(22,23)20-15-5-3-13(4-6-15)18(21)19-16-7-8-17-14(11-16)9-10-24-17;1-11(2)25(22,23)20-13-5-3-12(4-6-13)17(21)19-14-7-8-16-15(9-14)18-10-24-16;1-11(2)25(22,23)20-13-5-3-12(4-6-13)17(21)19-14-7-8-15-16(9-14)24-10-18-15/h3-4,7-8,11-14,16,19,21,25H,5-6,9-10,15H2,1-2H3,(H,24,26);5-7,12-15,17,23H,8-11H2,1-4H3,(H,21,25)(H,22,24);6,11-13,15,17,21H,3-5,7-10H2,1-2H3,(H,20,22);3-4,9-10,13,15-16,21H,5-8,11-12H2,1-2H3,(H,20,22)(H2,19,23,24);7-13,15,20H,3-6H2,1-2H3,(H,19,21);2*7-13,20H,3-6H2,1-2H3,(H,19,21).
What are the key properties of N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 2748.71 g/mol, XLogP of 19.53, 42 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1-benzothiophen-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 157235815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).