N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide

C219H327ClN36O35S11Si2 — CID 159321578

IUPACN-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3csnn3)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(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)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(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3[nH]ncc3c2)CC1.CCl
InChIInChI=1S/C32H61N3O5SSi2.C25H40N4O5S.C24H31N3O3S.C24H29N3O3S.C21H32N4O4S.C20H32N4O3S.C19H26N4O3S.C18H24N4O3S2.C18H25N3O3S.C17H24N4O3S.CH3Cl/c1-25(2)41(37,38)34-28-15-13-26(14-16-28)30(36)33-27-17-19-29(20-18-27)35(21-23-39-42(9,10)31(3,4)5)22-24-40-43(11,12)32(6,7)8;1-17(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;1-14(2)30(28,29)24-17-7-5-15(6-8-17)21(27)23-16-9-11-18(12-10-16)25-13-3-4-19(25)20(22)26;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)27(24,25)21-16-9-5-14(6-10-16)18(23)19-15-7-3-13(4-8-15)17-11-26-22-20-17;1-12(2)25(23,24)21-15-5-3-13(4-6-15)18(22)20-16-7-8-17-14(11-16)9-10-19-17;1-11(2)25(23,24)21-14-5-3-12(4-6-14)17(22)19-15-7-8-16-13(9-15)10-18-20-16;1-2/h17-20,25-26,28,34H,13-16,21-24H2,1-12H3,(H,33,36);10-13,17-18,20-21,28H,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);9-12,14-15,17,19,24H,3-8,13H2,1-2H3,(H2,22,26)(H,23,27);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);3-4,7-8,11-12,14,16,21H,5-6,9-10H2,1-2H3,(H,19,23);7-13,15,19,21H,3-6H2,1-2H3,(H,20,22);7-12,14,21H,3-6H2,1-2H3,(H,18,20)(H,19,22);1H3/t;;;;15?,17?,19-;;;;;;/m....0....../s1
InChIKeyLDVJEWTXRQAVCQ-JSTNTTRTSA-N
MW4468.60 g/mol
LogP35.62
Rot. Bonds68

About N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide

N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 159321578) has the molecular formula C219H327ClN36O35S11Si2 and a molecular weight of 4468.60 g/mol. Its IUPAC name is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID159321578
Molecular FormulaC219H327ClN36O35S11Si2
Molecular Weight4468.60 g/mol
Exact Mass4464.11
IUPAC NameN-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3csnn3)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(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)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(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3[nH]ncc3c2)CC1.CCl
InChIInChI=1S/C32H61N3O5SSi2.C25H40N4O5S.C24H31N3O3S.C24H29N3O3S.C21H32N4O4S.C20H32N4O3S.C19H26N4O3S.C18H24N4O3S2.C18H25N3O3S.C17H24N4O3S.CH3Cl/c1-25(2)41(37,38)34-28-15-13-26(14-16-28)30(36)33-27-17-19-29(20-18-27)35(21-23-39-42(9,10)31(3,4)5)22-24-40-43(11,12)32(6,7)8;1-17(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;1-14(2)30(28,29)24-17-7-5-15(6-8-17)21(27)23-16-9-11-18(12-10-16)25-13-3-4-19(25)20(22)26;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)27(24,25)21-16-9-5-14(6-10-16)18(23)19-15-7-3-13(4-8-15)17-11-26-22-20-17;1-12(2)25(23,24)21-15-5-3-13(4-6-15)18(22)20-16-7-8-17-14(11-16)9-10-19-17;1-11(2)25(23,24)21-14-5-3-12(4-6-14)17(22)19-15-7-8-16-13(9-15)10-18-20-16;1-2/h17-20,25-26,28,34H,13-16,21-24H2,1-12H3,(H,33,36);10-13,17-18,20-21,28H,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);9-12,14-15,17,19,24H,3-8,13H2,1-2H3,(H2,22,26)(H,23,27);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);3-4,7-8,11-12,14,16,21H,5-6,9-10H2,1-2H3,(H,19,23);7-13,15,19,21H,3-6H2,1-2H3,(H,20,22);7-12,14,21H,3-6H2,1-2H3,(H,18,20)(H,19,22);1H3/t;;;;15?,17?,19-;;;;;;/m....0....../s1
InChIKeyLDVJEWTXRQAVCQ-JSTNTTRTSA-N
XLogP35.62
TPSA987.80 Ų
H-Bond Donors25
H-Bond Acceptors48
Rotatable Bonds68
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004468.60
LogP ≤ 535.62
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1048

Analyze N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide (CID 159321578) is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide is CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3csnn3)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(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)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(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3[nH]ncc3c2)CC1.CCl.
What is the InChIKey of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is LDVJEWTXRQAVCQ-JSTNTTRTSA-N. The full InChI is InChI=1S/C32H61N3O5SSi2.C25H40N4O5S.C24H31N3O3S.C24H29N3O3S.C21H32N4O4S.C20H32N4O3S.C19H26N4O3S.C18H24N4O3S2.C18H25N3O3S.C17H24N4O3S.CH3Cl/c1-25(2)41(37,38)34-28-15-13-26(14-16-28)30(36)33-27-17-19-29(20-18-27)35(21-23-39-42(9,10)31(3,4)5)22-24-40-43(11,12)32(6,7)8;1-17(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;1-14(2)30(28,29)24-17-7-5-15(6-8-17)21(27)23-16-9-11-18(12-10-16)25-13-3-4-19(25)20(22)26;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)27(24,25)21-16-9-5-14(6-10-16)18(23)19-15-7-3-13(4-8-15)17-11-26-22-20-17;1-12(2)25(23,24)21-15-5-3-13(4-6-15)18(22)20-16-7-8-17-14(11-16)9-10-19-17;1-11(2)25(23,24)21-14-5-3-12(4-6-14)17(22)19-15-7-8-16-13(9-15)10-18-20-16;1-2/h17-20,25-26,28,34H,13-16,21-24H2,1-12H3,(H,33,36);10-13,17-18,20-21,28H,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);9-12,14-15,17,19,24H,3-8,13H2,1-2H3,(H2,22,26)(H,23,27);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);3-4,7-8,11-12,14,16,21H,5-6,9-10H2,1-2H3,(H,19,23);7-13,15,19,21H,3-6H2,1-2H3,(H,20,22);7-12,14,21H,3-6H2,1-2H3,(H,18,20)(H,19,22);1H3/t;;;;15?,17?,19-;;;;;;/m....0....../s1.
What are the key properties of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide?
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 4468.60 g/mol, XLogP of 35.62, 68 rotatable bonds, 25 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(1H-indol-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 159321578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).