N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide

C188H287Cl2F4N27O33S11 — CID 160886464

IUPACN-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CC1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCOCC2)cc1.CCCCc1ccc(NC(=O)OCCCCNS(=O)(=O)C(C)(C)C)cc1.CCCCc1ccc(NC(=O)OCCCCNS(=O)C(C)(C)C)cc1.CCCCc1ccc(NC(=O)c2ccc(Cl)nc2NS(=O)(=O)C(C)C)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)Cl)cn2)cc1.CCN(CC)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CN(C)c1ccc(NC(=O)CCCCNS(=O)C(C)(C)C)cc1.COc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C20H32N2O6S.C19H24ClN3O3S.C19H24ClN3O2S.C19H25FN4O3S2.C19H31N3O4S.C19H33N3O3S.C19H32N2O4S.C19H32N2O3S.C18H25F3N2O3S.C17H29N3O2S/c1-20(2,3)29(24,25)22-14-9-7-13(8-10-14)19(23)21-15-11-16(26-4)18(28-6)17(12-15)27-5;1-4-5-6-14-7-9-15(10-8-14)21-19(24)16-11-12-17(20)22-18(16)23-27(25,26)13(2)3;1-4-5-6-14-7-9-15(10-8-14)22-18(24)17-12-11-16(13-21-17)23-26(25)19(2,3)20;1-19(2,3)29(26,27)24-15-10-6-12(7-11-15)16(25)21-18-23-22-17(28-18)13-4-8-14(20)9-5-13;1-19(2,3)27(24,25)20-11-5-4-6-18(23)21-16-7-9-17(10-8-16)22-12-14-26-15-13-22;1-6-22(7-2)17-13-11-16(12-14-17)21-18(23)10-8-9-15-20-26(24,25)19(3,4)5;1-5-6-9-16-10-12-17(13-11-16)21-18(22)25-15-8-7-14-20-26(23,24)19(2,3)4;1-5-6-9-16-10-12-17(13-11-16)21-18(22)24-15-8-7-14-20-25(23)19(2,3)4;1-17(2,3)27(25,26)23-15-8-4-12(5-9-15)16(24)22-14-10-6-13(7-11-14)18(19,20)21;1-17(2,3)23(22)18-13-7-6-8-16(21)19-14-9-11-15(12-10-14)20(4)5/h11-14,22H,7-10H2,1-6H3,(H,21,23);7-13H,4-6H2,1-3H3,(H,21,24)(H,22,23);7-13,23H,4-6H2,1-3H3,(H,22,24);4-5,8-9,12,15,24H,6-7,10-11H2,1-3H3,(H,21,23,25);7-10,20H,4-6,11-15H2,1-3H3,(H,21,23);11-14,20H,6-10,15H2,1-5H3,(H,21,23);10-13,20H,5-9,14-15H2,1-4H3,(H,21,22);10-13,20H,5-9,14-15H2,1-4H3,(H,21,22);6-7,10-12,15,23H,4-5,8-9H2,1-3H3,(H,22,24);9-12,18H,6-8,13H2,1-5H3,(H,19,21)
InChIKeySNRWPDQMDWIKKM-UHFFFAOYSA-N
MW3953.15 g/mol
LogP36.72
Rot. Bonds78

About N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide

N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 160886464) has the molecular formula C188H287Cl2F4N27O33S11 and a molecular weight of 3953.15 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
PubChem CID160886464
Molecular FormulaC188H287Cl2F4N27O33S11
Molecular Weight3953.15 g/mol
Exact Mass3948.79
IUPAC NameN-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CC1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCOCC2)cc1.CCCCc1ccc(NC(=O)OCCCCNS(=O)(=O)C(C)(C)C)cc1.CCCCc1ccc(NC(=O)OCCCCNS(=O)C(C)(C)C)cc1.CCCCc1ccc(NC(=O)c2ccc(Cl)nc2NS(=O)(=O)C(C)C)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)Cl)cn2)cc1.CCN(CC)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CN(C)c1ccc(NC(=O)CCCCNS(=O)C(C)(C)C)cc1.COc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C20H32N2O6S.C19H24ClN3O3S.C19H24ClN3O2S.C19H25FN4O3S2.C19H31N3O4S.C19H33N3O3S.C19H32N2O4S.C19H32N2O3S.C18H25F3N2O3S.C17H29N3O2S/c1-20(2,3)29(24,25)22-14-9-7-13(8-10-14)19(23)21-15-11-16(26-4)18(28-6)17(12-15)27-5;1-4-5-6-14-7-9-15(10-8-14)21-19(24)16-11-12-17(20)22-18(16)23-27(25,26)13(2)3;1-4-5-6-14-7-9-15(10-8-14)22-18(24)17-12-11-16(13-21-17)23-26(25)19(2,3)20;1-19(2,3)29(26,27)24-15-10-6-12(7-11-15)16(25)21-18-23-22-17(28-18)13-4-8-14(20)9-5-13;1-19(2,3)27(24,25)20-11-5-4-6-18(23)21-16-7-9-17(10-8-16)22-12-14-26-15-13-22;1-6-22(7-2)17-13-11-16(12-14-17)21-18(23)10-8-9-15-20-26(24,25)19(3,4)5;1-5-6-9-16-10-12-17(13-11-16)21-18(22)25-15-8-7-14-20-26(23,24)19(2,3)4;1-5-6-9-16-10-12-17(13-11-16)21-18(22)24-15-8-7-14-20-25(23)19(2,3)4;1-17(2,3)27(25,26)23-15-8-4-12(5-9-15)16(24)22-14-10-6-13(7-11-14)18(19,20)21;1-17(2,3)23(22)18-13-7-6-8-16(21)19-14-9-11-15(12-10-14)20(4)5/h11-14,22H,7-10H2,1-6H3,(H,21,23);7-13H,4-6H2,1-3H3,(H,21,24)(H,22,23);7-13,23H,4-6H2,1-3H3,(H,22,24);4-5,8-9,12,15,24H,6-7,10-11H2,1-3H3,(H,21,23,25);7-10,20H,4-6,11-15H2,1-3H3,(H,21,23);11-14,20H,6-10,15H2,1-5H3,(H,21,23);10-13,20H,5-9,14-15H2,1-4H3,(H,21,22);10-13,20H,5-9,14-15H2,1-4H3,(H,21,22);6-7,10-12,15,23H,4-5,8-9H2,1-3H3,(H,22,24);9-12,18H,6-8,13H2,1-5H3,(H,19,21)
InChIKeySNRWPDQMDWIKKM-UHFFFAOYSA-N
XLogP36.72
TPSA818.15 Ų
H-Bond Donors20
H-Bond Acceptors41
Rotatable Bonds78
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003953.15
LogP ≤ 536.72
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide (CID 160886464) is N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CC1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCOCC2)cc1.CCCCc1ccc(NC(=O)OCCCCNS(=O)(=O)C(C)(C)C)cc1.CCCCc1ccc(NC(=O)OCCCCNS(=O)C(C)(C)C)cc1.CCCCc1ccc(NC(=O)c2ccc(Cl)nc2NS(=O)(=O)C(C)C)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)Cl)cn2)cc1.CCN(CC)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CN(C)c1ccc(NC(=O)CCCCNS(=O)C(C)(C)C)cc1.COc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC.
What is the InChIKey of N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is SNRWPDQMDWIKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O6S.C19H24ClN3O3S.C19H24ClN3O2S.C19H25FN4O3S2.C19H31N3O4S.C19H33N3O3S.C19H32N2O4S.C19H32N2O3S.C18H25F3N2O3S.C17H29N3O2S/c1-20(2,3)29(24,25)22-14-9-7-13(8-10-14)19(23)21-15-11-16(26-4)18(28-6)17(12-15)27-5;1-4-5-6-14-7-9-15(10-8-14)21-19(24)16-11-12-17(20)22-18(16)23-27(25,26)13(2)3;1-4-5-6-14-7-9-15(10-8-14)22-18(24)17-12-11-16(13-21-17)23-26(25)19(2,3)20;1-19(2,3)29(26,27)24-15-10-6-12(7-11-15)16(25)21-18-23-22-17(28-18)13-4-8-14(20)9-5-13;1-19(2,3)27(24,25)20-11-5-4-6-18(23)21-16-7-9-17(10-8-16)22-12-14-26-15-13-22;1-6-22(7-2)17-13-11-16(12-14-17)21-18(23)10-8-9-15-20-26(24,25)19(3,4)5;1-5-6-9-16-10-12-17(13-11-16)21-18(22)25-15-8-7-14-20-26(23,24)19(2,3)4;1-5-6-9-16-10-12-17(13-11-16)21-18(22)24-15-8-7-14-20-25(23)19(2,3)4;1-17(2,3)27(25,26)23-15-8-4-12(5-9-15)16(24)22-14-10-6-13(7-11-14)18(19,20)21;1-17(2,3)23(22)18-13-7-6-8-16(21)19-14-9-11-15(12-10-14)20(4)5/h11-14,22H,7-10H2,1-6H3,(H,21,23);7-13H,4-6H2,1-3H3,(H,21,24)(H,22,23);7-13,23H,4-6H2,1-3H3,(H,22,24);4-5,8-9,12,15,24H,6-7,10-11H2,1-3H3,(H,21,23,25);7-10,20H,4-6,11-15H2,1-3H3,(H,21,23);11-14,20H,6-10,15H2,1-5H3,(H,21,23);10-13,20H,5-9,14-15H2,1-4H3,(H,21,22);10-13,20H,5-9,14-15H2,1-4H3,(H,21,22);6-7,10-12,15,23H,4-5,8-9H2,1-3H3,(H,22,24);9-12,18H,6-8,13H2,1-5H3,(H,19,21).
What are the key properties of N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide?
N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 3953.15 g/mol, XLogP of 36.72, 78 rotatable bonds, 20 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfinylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfinylamino)-N-[4-(dimethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)butyl N-(4-butylphenyl)carbamate;5-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]pentanamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)pentanamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 160886464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).