N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide

C203H302ClN33O34S10 — CID 157277254

IUPACN-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCC(NC(=O)OC(C)(C)C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(N(C)C)c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(N)c2)CC1.CCl
InChIInChI=1S/C25H40N4O5S.C24H31N3O3S.C24H29N3O3S.C22H35N3O4S.C20H32N4O3S.C19H26N4O3S.C18H27N3O4S.C18H29N3O3S.2C16H25N3O3S.CH3Cl/c1-17(2)35(32,33)28-20-8-6-18(7-9-20)23(30)26-19-10-12-22(13-11-19)29-15-14-21(16-29)27-24(31)34-25(3,4)5;2*1-17(2)31(29,30)26-21-9-7-19(8-10-21)24(28)25-20-11-13-22(14-12-20)27-16-15-18-5-3-4-6-23(18)27;1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25;1-14(2)28(26,27)23-18-5-3-15(4-6-18)20(25)22-17-7-9-19(10-8-17)24-12-11-16(21)13-24;1-14(2)27(25,26)22-17-6-4-15(5-7-17)19(24)21-16-8-10-18(11-9-16)23-13-3-12-20-23;1-12(2)26(24,25)21-17-6-4-14(5-7-17)18(23)20-16-10-8-15(9-11-16)19-13(3)22;1-13(2)25(23,24)20-15-10-8-14(9-11-15)18(22)19-16-6-5-7-17(12-16)21(3)4;1-11(2)23(21,22)19-15-7-3-12(4-8-15)16(20)18-14-9-5-13(17)6-10-14;1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15;1-2/h10-13,17-18,20-21,28H,6-9,14-16H2,1-5H3,(H,26,30)(H,27,31);3-6,11-14,17,19,21,26H,7-10,15-16H2,1-2H3,(H,25,28);3-6,11-17,19,21,26H,7-10H2,1-2H3,(H,25,28);9-12,15-18,20,24H,5-8,13-14H2,1-4H3,(H,23,26);7-10,14-16,18,23H,3-6,11-13,21H2,1-2H3,(H,22,25);3,8-15,17,22H,4-7H2,1-2H3,(H,21,24);8-12,14,17,21H,4-7H2,1-3H3,(H,19,22)(H,20,23);5-7,12-15,20H,8-11H2,1-4H3,(H,19,22);5-6,9-12,15,19H,3-4,7-8,17H2,1-2H3,(H,18,20);3-5,10-12,14,19H,6-9,17H2,1-2H3,(H,18,20);1H3/t;;;16-,17+,18?,20?;;;;;;;
InChIKeyAZGDPKKWWVGBQU-WVIGJTFKSA-N
MW4104.97 g/mol
LogP30.24
Rot. Bonds59

About N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide

N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 157277254) has the molecular formula C203H302ClN33O34S10 and a molecular weight of 4104.97 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
PubChem CID157277254
Molecular FormulaC203H302ClN33O34S10
Molecular Weight4104.97 g/mol
Exact Mass4100.98
IUPAC NameN-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCC(NC(=O)OC(C)(C)C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(N(C)C)c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(N)c2)CC1.CCl
InChIInChI=1S/C25H40N4O5S.C24H31N3O3S.C24H29N3O3S.C22H35N3O4S.C20H32N4O3S.C19H26N4O3S.C18H27N3O4S.C18H29N3O3S.2C16H25N3O3S.CH3Cl/c1-17(2)35(32,33)28-20-8-6-18(7-9-20)23(30)26-19-10-12-22(13-11-19)29-15-14-21(16-29)27-24(31)34-25(3,4)5;2*1-17(2)31(29,30)26-21-9-7-19(8-10-21)24(28)25-20-11-13-22(14-12-20)27-16-15-18-5-3-4-6-23(18)27;1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25;1-14(2)28(26,27)23-18-5-3-15(4-6-18)20(25)22-17-7-9-19(10-8-17)24-12-11-16(21)13-24;1-14(2)27(25,26)22-17-6-4-15(5-7-17)19(24)21-16-8-10-18(11-9-16)23-13-3-12-20-23;1-12(2)26(24,25)21-17-6-4-14(5-7-17)18(23)20-16-10-8-15(9-11-16)19-13(3)22;1-13(2)25(23,24)20-15-10-8-14(9-11-15)18(22)19-16-6-5-7-17(12-16)21(3)4;1-11(2)23(21,22)19-15-7-3-12(4-8-15)16(20)18-14-9-5-13(17)6-10-14;1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15;1-2/h10-13,17-18,20-21,28H,6-9,14-16H2,1-5H3,(H,26,30)(H,27,31);3-6,11-14,17,19,21,26H,7-10,15-16H2,1-2H3,(H,25,28);3-6,11-17,19,21,26H,7-10H2,1-2H3,(H,25,28);9-12,15-18,20,24H,5-8,13-14H2,1-4H3,(H,23,26);7-10,14-16,18,23H,3-6,11-13,21H2,1-2H3,(H,22,25);3,8-15,17,22H,4-7H2,1-2H3,(H,21,24);8-12,14,17,21H,4-7H2,1-3H3,(H,19,22)(H,20,23);5-7,12-15,20H,8-11H2,1-4H3,(H,19,22);5-6,9-12,15,19H,3-4,7-8,17H2,1-2H3,(H,18,20);3-5,10-12,14,19H,6-9,17H2,1-2H3,(H,18,20);1H3/t;;;16-,17+,18?,20?;;;;;;;
InChIKeyAZGDPKKWWVGBQU-WVIGJTFKSA-N
XLogP30.24
TPSA946.37 Ų
H-Bond Donors25
H-Bond Acceptors45
Rotatable Bonds59
Heavy Atoms281
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004104.97
LogP ≤ 530.24
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1045

Analyze N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide (CID 157277254) is N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCC(NC(=O)OC(C)(C)C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(N(C)C)c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(N)c2)CC1.CCl.
What is the InChIKey of N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is AZGDPKKWWVGBQU-WVIGJTFKSA-N. The full InChI is InChI=1S/C25H40N4O5S.C24H31N3O3S.C24H29N3O3S.C22H35N3O4S.C20H32N4O3S.C19H26N4O3S.C18H27N3O4S.C18H29N3O3S.2C16H25N3O3S.CH3Cl/c1-17(2)35(32,33)28-20-8-6-18(7-9-20)23(30)26-19-10-12-22(13-11-19)29-15-14-21(16-29)27-24(31)34-25(3,4)5;2*1-17(2)31(29,30)26-21-9-7-19(8-10-21)24(28)25-20-11-13-22(14-12-20)27-16-15-18-5-3-4-6-23(18)27;1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25;1-14(2)28(26,27)23-18-5-3-15(4-6-18)20(25)22-17-7-9-19(10-8-17)24-12-11-16(21)13-24;1-14(2)27(25,26)22-17-6-4-15(5-7-17)19(24)21-16-8-10-18(11-9-16)23-13-3-12-20-23;1-12(2)26(24,25)21-17-6-4-14(5-7-17)18(23)20-16-10-8-15(9-11-16)19-13(3)22;1-13(2)25(23,24)20-15-10-8-14(9-11-15)18(22)19-16-6-5-7-17(12-16)21(3)4;1-11(2)23(21,22)19-15-7-3-12(4-8-15)16(20)18-14-9-5-13(17)6-10-14;1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15;1-2/h10-13,17-18,20-21,28H,6-9,14-16H2,1-5H3,(H,26,30)(H,27,31);3-6,11-14,17,19,21,26H,7-10,15-16H2,1-2H3,(H,25,28);3-6,11-17,19,21,26H,7-10H2,1-2H3,(H,25,28);9-12,15-18,20,24H,5-8,13-14H2,1-4H3,(H,23,26);7-10,14-16,18,23H,3-6,11-13,21H2,1-2H3,(H,22,25);3,8-15,17,22H,4-7H2,1-2H3,(H,21,24);8-12,14,17,21H,4-7H2,1-3H3,(H,19,22)(H,20,23);5-7,12-15,20H,8-11H2,1-4H3,(H,19,22);5-6,9-12,15,19H,3-4,7-8,17H2,1-2H3,(H,18,20);3-5,10-12,14,19H,6-9,17H2,1-2H3,(H,18,20);1H3/t;;;16-,17+,18?,20?;;;;;;;.
What are the key properties of N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 4104.97 g/mol, XLogP of 30.24, 59 rotatable bonds, 25 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 157277254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).