N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide

C298H458ClFIN37O45S14 — CID 158956783

IUPACN-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(I)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1.CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1.CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)C(C)(C)C)CC2)cc1.CCN(CC)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CCN(CC)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CCn1c2ccccc2c2cc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21.CN(C)c1ccc(NC(=O)C2CCC(NS(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C25H28ClN3O5S.C25H33N3O3S.2C23H38N2O3S.C23H38N2O2S.C22H35N3O3S.2C21H33N3O4S.2C21H35N3O3S.C20H31N3O4S.C19H31N3O2S.C17H25FN2O3S.C17H25IN2O3S/c1-25(2,3)35(33,34)28-18-7-4-15(5-8-18)22(30)27-17-9-11-19(12-10-17)29-23(31)20-13-6-16(26)14-21(20)24(29)32;1-5-28-22-9-7-6-8-20(22)21-16-19(14-15-23(21)28)26-24(29)17-10-12-18(13-11-17)27-32(30,31)25(2,3)4;2*1-5-6-7-18-12-14-21(15-13-18)22(26)24-16-19-8-10-20(11-9-19)17-25-29(27,28)23(2,3)4;1-5-6-7-18-12-14-21(15-13-18)22(26)24-16-19-8-10-20(11-9-19)17-25-28(27)23(2,3)4;1-22(2,3)29(27,28)24-19-9-7-17(8-10-19)21(26)23-18-11-13-20(14-12-18)25-15-5-4-6-16-25;2*1-21(2,3)29(26,27)23-18-6-4-16(5-7-18)20(25)22-17-8-10-19(11-9-17)24-12-14-28-15-13-24;2*1-6-24(7-2)19-14-12-17(13-15-19)22-20(25)16-8-10-18(11-9-16)23-28(26,27)21(3,4)5;1-14(24)23(5)18-12-10-16(11-13-18)21-19(25)15-6-8-17(9-7-15)22-28(26,27)20(2,3)4;1-19(2,3)25(24)21-16-8-6-14(7-9-16)18(23)20-15-10-12-17(13-11-15)22(4)5;2*1-17(2,3)24(22,23)20-15-8-4-12(5-9-15)16(21)19-14-10-6-13(18)7-11-14/h6,9-15,18,28H,4-5,7-8H2,1-3H3,(H,27,30);6-9,14-18,27H,5,10-13H2,1-4H3,(H,26,29);2*12-15,19-20,25H,5-11,16-17H2,1-4H3,(H,24,26);12-15,19-20,25H,5-11,16-17H2,1-4H3,(H,24,26);11-14,17,19,24H,4-10,15-16H2,1-3H3,(H,23,26);2*8-11,16,18,23H,4-7,12-15H2,1-3H3,(H,22,25);2*12-16,18,23H,6-11H2,1-5H3,(H,22,25);10-13,15,17,22H,6-9H2,1-5H3,(H,21,25);10-14,16,21H,6-9H2,1-5H3,(H,20,23);2*6-7,10-12,15,20H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyJMCGURFPSALNFV-UHFFFAOYSA-N
MW5909.45 g/mol
LogP52.17
Rot. Bonds84

About N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide

N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 158956783) has the molecular formula C298H458ClFIN37O45S14 and a molecular weight of 5909.45 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide
PubChem CID158956783
Molecular FormulaC298H458ClFIN37O45S14
Molecular Weight5909.45 g/mol
Exact Mass5903.95
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(I)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1.CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1.CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)C(C)(C)C)CC2)cc1.CCN(CC)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CCN(CC)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CCn1c2ccccc2c2cc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21.CN(C)c1ccc(NC(=O)C2CCC(NS(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C25H28ClN3O5S.C25H33N3O3S.2C23H38N2O3S.C23H38N2O2S.C22H35N3O3S.2C21H33N3O4S.2C21H35N3O3S.C20H31N3O4S.C19H31N3O2S.C17H25FN2O3S.C17H25IN2O3S/c1-25(2,3)35(33,34)28-18-7-4-15(5-8-18)22(30)27-17-9-11-19(12-10-17)29-23(31)20-13-6-16(26)14-21(20)24(29)32;1-5-28-22-9-7-6-8-20(22)21-16-19(14-15-23(21)28)26-24(29)17-10-12-18(13-11-17)27-32(30,31)25(2,3)4;2*1-5-6-7-18-12-14-21(15-13-18)22(26)24-16-19-8-10-20(11-9-19)17-25-29(27,28)23(2,3)4;1-5-6-7-18-12-14-21(15-13-18)22(26)24-16-19-8-10-20(11-9-19)17-25-28(27)23(2,3)4;1-22(2,3)29(27,28)24-19-9-7-17(8-10-19)21(26)23-18-11-13-20(14-12-18)25-15-5-4-6-16-25;2*1-21(2,3)29(26,27)23-18-6-4-16(5-7-18)20(25)22-17-8-10-19(11-9-17)24-12-14-28-15-13-24;2*1-6-24(7-2)19-14-12-17(13-15-19)22-20(25)16-8-10-18(11-9-16)23-28(26,27)21(3,4)5;1-14(24)23(5)18-12-10-16(11-13-18)21-19(25)15-6-8-17(9-7-15)22-28(26,27)20(2,3)4;1-19(2,3)25(24)21-16-8-6-14(7-9-16)18(23)20-15-10-12-17(13-11-15)22(4)5;2*1-17(2,3)24(22,23)20-15-8-4-12(5-9-15)16(21)19-14-10-6-13(18)7-11-14/h6,9-15,18,28H,4-5,7-8H2,1-3H3,(H,27,30);6-9,14-18,27H,5,10-13H2,1-4H3,(H,26,29);2*12-15,19-20,25H,5-11,16-17H2,1-4H3,(H,24,26);12-15,19-20,25H,5-11,16-17H2,1-4H3,(H,24,26);11-14,17,19,24H,4-10,15-16H2,1-3H3,(H,23,26);2*8-11,16,18,23H,4-7,12-15H2,1-3H3,(H,22,25);2*12-16,18,23H,6-11H2,1-5H3,(H,22,25);10-13,15,17,22H,6-9H2,1-5H3,(H,21,25);10-14,16,21H,6-9H2,1-5H3,(H,20,23);2*6-7,10-12,15,20H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyJMCGURFPSALNFV-UHFFFAOYSA-N
XLogP52.17
TPSA1120.16 Ų
H-Bond Donors28
H-Bond Acceptors52
Rotatable Bonds84
Heavy Atoms397
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005909.45
LogP ≤ 552.17
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1052

Analyze N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide (CID 158956783) is N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide is CC(=O)N(C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(I)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1.CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1.CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)C(C)(C)C)CC2)cc1.CCN(CC)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CCN(CC)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CCn1c2ccccc2c2cc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21.CN(C)c1ccc(NC(=O)C2CCC(NS(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is JMCGURFPSALNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O5S.C25H33N3O3S.2C23H38N2O3S.C23H38N2O2S.C22H35N3O3S.2C21H33N3O4S.2C21H35N3O3S.C20H31N3O4S.C19H31N3O2S.C17H25FN2O3S.C17H25IN2O3S/c1-25(2,3)35(33,34)28-18-7-4-15(5-8-18)22(30)27-17-9-11-19(12-10-17)29-23(31)20-13-6-16(26)14-21(20)24(29)32;1-5-28-22-9-7-6-8-20(22)21-16-19(14-15-23(21)28)26-24(29)17-10-12-18(13-11-17)27-32(30,31)25(2,3)4;2*1-5-6-7-18-12-14-21(15-13-18)22(26)24-16-19-8-10-20(11-9-19)17-25-29(27,28)23(2,3)4;1-5-6-7-18-12-14-21(15-13-18)22(26)24-16-19-8-10-20(11-9-19)17-25-28(27)23(2,3)4;1-22(2,3)29(27,28)24-19-9-7-17(8-10-19)21(26)23-18-11-13-20(14-12-18)25-15-5-4-6-16-25;2*1-21(2,3)29(26,27)23-18-6-4-16(5-7-18)20(25)22-17-8-10-19(11-9-17)24-12-14-28-15-13-24;2*1-6-24(7-2)19-14-12-17(13-15-19)22-20(25)16-8-10-18(11-9-16)23-28(26,27)21(3,4)5;1-14(24)23(5)18-12-10-16(11-13-18)21-19(25)15-6-8-17(9-7-15)22-28(26,27)20(2,3)4;1-19(2,3)25(24)21-16-8-6-14(7-9-16)18(23)20-15-10-12-17(13-11-15)22(4)5;2*1-17(2,3)24(22,23)20-15-8-4-12(5-9-15)16(21)19-14-10-6-13(18)7-11-14/h6,9-15,18,28H,4-5,7-8H2,1-3H3,(H,27,30);6-9,14-18,27H,5,10-13H2,1-4H3,(H,26,29);2*12-15,19-20,25H,5-11,16-17H2,1-4H3,(H,24,26);12-15,19-20,25H,5-11,16-17H2,1-4H3,(H,24,26);11-14,17,19,24H,4-10,15-16H2,1-3H3,(H,23,26);2*8-11,16,18,23H,4-7,12-15H2,1-3H3,(H,22,25);2*12-16,18,23H,6-11H2,1-5H3,(H,22,25);10-13,15,17,22H,6-9H2,1-5H3,(H,21,25);10-14,16,21H,6-9H2,1-5H3,(H,20,23);2*6-7,10-12,15,20H,4-5,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide?
N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 5909.45 g/mol, XLogP of 52.17, 84 rotatable bonds, 28 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-butyl-N-[[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]methyl]benzamide;bis(4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]cyclohexyl]methyl]benzamide);4-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-iodophenyl)cyclohexane-1-carboxamide;bis(4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide);4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 158956783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).