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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide

C186H265F4N27O37S14 — CID 162068035

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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)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.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CC1.COc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc(OC)c1OC.Cc1c(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc2c1CCC2.Cc1cc(C(F)(F)F)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1.Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc(C(=O)NC(C)C)c1
InChIInChI=1S/C22H29N3O3S.C21H33N3O4S.C20H30N2O3S.C19H30N2O6S.C18H25F3N2O3S.C18H23FN4O3S2.C18H24N2O3S2.C17H23N3O4S.C17H23N3O3S2.C16H25N3O5S2/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)22-21(26)17-10-15(5)11-19(12-17)23-20(25)16-6-8-18(9-7-16)24-29(27,28)14(3)4;1-13(2)26(24,25)22-17-10-7-16(8-11-17)20(23)21-19-12-9-15-5-4-6-18(15)14(19)3;1-12(2)28(23,24)21-14-8-6-13(7-9-14)19(22)20-15-10-16(25-3)18(27-5)17(11-15)26-4;1-11(2)27(25,26)23-15-7-4-13(5-8-15)17(24)22-16-9-6-14(10-12(16)3)18(19,20)21;1-11(2)28(25,26)23-15-9-5-12(6-10-15)16(24)20-18-22-21-17(27-18)13-3-7-14(19)8-4-13;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;1-11(2)26(23,24)19-14-5-3-12(4-6-14)16(20)18-13-7-9-15(10-8-13)25(17,21)22/h3-4,7-8,11-14,16,19,21,25H,5-6,9-10,15H2,1-2H3,(H,24,26);10-14,16,18,24H,6-9H2,1-5H3,(H,22,26)(H,23,25);9,12-13,16-17,22H,4-8,10-11H2,1-3H3,(H,21,23);10-14,21H,6-9H2,1-5H3,(H,20,22);6,9-11,13,15,23H,4-5,7-8H2,1-3H3,(H,22,24);3-4,7-8,11-12,15,23H,5-6,9-10H2,1-2H3,(H,20,22,24);7-13,15,20H,3-6H2,1-2H3,(H,19,21);2*7-13,20H,3-6H2,1-2H3,(H,19,21);7-12,14,19H,3-6H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyZASBLIJCSVXNNK-UHFFFAOYSA-N
MW3996.25 g/mol
LogP29.97
Rot. Bonds59

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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 162068035) has the molecular formula C186H265F4N27O37S14 and a molecular weight of 3996.25 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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
PubChem CID162068035
Molecular FormulaC186H265F4N27O37S14
Molecular Weight3996.25 g/mol
Exact Mass3992.57
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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)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.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CC1.COc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc(OC)c1OC.Cc1c(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc2c1CCC2.Cc1cc(C(F)(F)F)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1.Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc(C(=O)NC(C)C)c1
InChIInChI=1S/C22H29N3O3S.C21H33N3O4S.C20H30N2O3S.C19H30N2O6S.C18H25F3N2O3S.C18H23FN4O3S2.C18H24N2O3S2.C17H23N3O4S.C17H23N3O3S2.C16H25N3O5S2/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)22-21(26)17-10-15(5)11-19(12-17)23-20(25)16-6-8-18(9-7-16)24-29(27,28)14(3)4;1-13(2)26(24,25)22-17-10-7-16(8-11-17)20(23)21-19-12-9-15-5-4-6-18(15)14(19)3;1-12(2)28(23,24)21-14-8-6-13(7-9-14)19(22)20-15-10-16(25-3)18(27-5)17(11-15)26-4;1-11(2)27(25,26)23-15-7-4-13(5-8-15)17(24)22-16-9-6-14(10-12(16)3)18(19,20)21;1-11(2)28(25,26)23-15-9-5-12(6-10-15)16(24)20-18-22-21-17(27-18)13-3-7-14(19)8-4-13;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;1-11(2)26(23,24)19-14-5-3-12(4-6-14)16(20)18-13-7-9-15(10-8-13)25(17,21)22/h3-4,7-8,11-14,16,19,21,25H,5-6,9-10,15H2,1-2H3,(H,24,26);10-14,16,18,24H,6-9H2,1-5H3,(H,22,26)(H,23,25);9,12-13,16-17,22H,4-8,10-11H2,1-3H3,(H,21,23);10-14,21H,6-9H2,1-5H3,(H,20,22);6,9-11,13,15,23H,4-5,7-8H2,1-3H3,(H,22,24);3-4,7-8,11-12,15,23H,5-6,9-10H2,1-2H3,(H,20,22,24);7-13,15,20H,3-6H2,1-2H3,(H,19,21);2*7-13,20H,3-6H2,1-2H3,(H,19,21);7-12,14,19H,3-6H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyZASBLIJCSVXNNK-UHFFFAOYSA-N
XLogP29.97
TPSA947.24 Ų
H-Bond Donors22
H-Bond Acceptors45
Rotatable Bonds59
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003996.25
LogP ≤ 529.97
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1045

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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide with MolForge

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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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide (CID 162068035) 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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide is CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)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.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CC1.COc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc(OC)c1OC.Cc1c(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc2c1CCC2.Cc1cc(C(F)(F)F)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1.Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc(C(=O)NC(C)C)c1.
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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is ZASBLIJCSVXNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S.C21H33N3O4S.C20H30N2O3S.C19H30N2O6S.C18H25F3N2O3S.C18H23FN4O3S2.C18H24N2O3S2.C17H23N3O4S.C17H23N3O3S2.C16H25N3O5S2/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)22-21(26)17-10-15(5)11-19(12-17)23-20(25)16-6-8-18(9-7-16)24-29(27,28)14(3)4;1-13(2)26(24,25)22-17-10-7-16(8-11-17)20(23)21-19-12-9-15-5-4-6-18(15)14(19)3;1-12(2)28(23,24)21-14-8-6-13(7-9-14)19(22)20-15-10-16(25-3)18(27-5)17(11-15)26-4;1-11(2)27(25,26)23-15-7-4-13(5-8-15)17(24)22-16-9-6-14(10-12(16)3)18(19,20)21;1-11(2)28(25,26)23-15-9-5-12(6-10-15)16(24)20-18-22-21-17(27-18)13-3-7-14(19)8-4-13;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;1-11(2)26(23,24)19-14-5-3-12(4-6-14)16(20)18-13-7-9-15(10-8-13)25(17,21)22/h3-4,7-8,11-14,16,19,21,25H,5-6,9-10,15H2,1-2H3,(H,24,26);10-14,16,18,24H,6-9H2,1-5H3,(H,22,26)(H,23,25);9,12-13,16-17,22H,4-8,10-11H2,1-3H3,(H,21,23);10-14,21H,6-9H2,1-5H3,(H,20,22);6,9-11,13,15,23H,4-5,7-8H2,1-3H3,(H,22,24);3-4,7-8,11-12,15,23H,5-6,9-10H2,1-2H3,(H,20,22,24);7-13,15,20H,3-6H2,1-2H3,(H,19,21);2*7-13,20H,3-6H2,1-2H3,(H,19,21);7-12,14,19H,3-6H2,1-2H3,(H,18,20)(H2,17,21,22).
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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 3996.25 g/mol, XLogP of 29.97, 59 rotatable bonds, 22 hydrogen bond donors, and 45 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-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;3-methyl-N-propan-2-yl-5-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-sulfamoylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 162068035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).