N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide

C257H380F3N27O23S7 — CID 159092193

IUPACN,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CN(C)C)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cccc(C(=O)N2CCNCC2)c1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)c1cccc(NC(=O)C(F)(F)F)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCN(CC)Cc1ccc(C(C)C)cc1.CCN(CC)S(=O)(=O)c1ccc(C(C)C)cc1.CNC(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C15H22N2O.C15H24N2.C14H22N2O2S.C14H20N2O.C14H22N2.C14H21NO2S.C14H19NO2.C14H21NO.C14H23N.C13H20N2O2S.C13H19NO3S.C13H21NO2S.C12H17NO.C12H19N.C11H12F3NO.C11H17NO2S.C11H15NO.C9H13NO2S.3C8H11N/c1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-4-3-5-13(10-12)14(17)16-8-6-15-7-9-16;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16;1-11(2)12-3-5-13(6-4-12)18(16,17)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-5-15(6-2)11-13-7-9-14(10-8-13)12(3)4;1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15;1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14;1-5-14(6-2)17(15,16)13-9-7-12(8-10-13)11(3)4;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-7(2)8-4-3-5-9(6-8)15-10(16)11(12,13)14;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h4-6,11-12H,7-10H2,1-3H3;4-7,13H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-5,10-11,15H,6-9H2,1-2H3;3-6,12,15H,7-11H2,1-2H3;3-6,11,14-15H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-10,12H,5-6,11H2,1-4H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;7-11H,5-6H2,1-4H3;5-9H,1-4H3;5-8,10H,9H2,1-4H3;3-7H,1-2H3,(H,15,16);5-9H,1-4H3;4-8H,1-3H3,(H,12,13);3-7H,1-2H3,(H2,10,11,12);3*3-7H,1-2H3
InChIKeyKCEZOFCYWNWLKI-UHFFFAOYSA-N
MW4497.50 g/mol
LogP48.56
Rot. Bonds54

About N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide

N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 159092193) has the molecular formula C257H380F3N27O23S7 and a molecular weight of 4497.50 g/mol. Its IUPAC name is N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide
PubChem CID159092193
Molecular FormulaC257H380F3N27O23S7
Molecular Weight4497.50 g/mol
Exact Mass4493.74
IUPAC NameN,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CN(C)C)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cccc(C(=O)N2CCNCC2)c1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)c1cccc(NC(=O)C(F)(F)F)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCN(CC)Cc1ccc(C(C)C)cc1.CCN(CC)S(=O)(=O)c1ccc(C(C)C)cc1.CNC(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C15H22N2O.C15H24N2.C14H22N2O2S.C14H20N2O.C14H22N2.C14H21NO2S.C14H19NO2.C14H21NO.C14H23N.C13H20N2O2S.C13H19NO3S.C13H21NO2S.C12H17NO.C12H19N.C11H12F3NO.C11H17NO2S.C11H15NO.C9H13NO2S.3C8H11N/c1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-4-3-5-13(10-12)14(17)16-8-6-15-7-9-16;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16;1-11(2)12-3-5-13(6-4-12)18(16,17)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-5-15(6-2)11-13-7-9-14(10-8-13)12(3)4;1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15;1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14;1-5-14(6-2)17(15,16)13-9-7-12(8-10-13)11(3)4;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-7(2)8-4-3-5-9(6-8)15-10(16)11(12,13)14;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h4-6,11-12H,7-10H2,1-3H3;4-7,13H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-5,10-11,15H,6-9H2,1-2H3;3-6,12,15H,7-11H2,1-2H3;3-6,11,14-15H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-10,12H,5-6,11H2,1-4H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;7-11H,5-6H2,1-4H3;5-9H,1-4H3;5-8,10H,9H2,1-4H3;3-7H,1-2H3,(H,15,16);5-9H,1-4H3;4-8H,1-3H3,(H,12,13);3-7H,1-2H3,(H2,10,11,12);3*3-7H,1-2H3
InChIKeyKCEZOFCYWNWLKI-UHFFFAOYSA-N
XLogP48.56
TPSA561.04 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds54
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004497.50
LogP ≤ 548.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Analyze N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide with MolForge

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Related Compounds

2-[2-[[3-[[3-[2-[methyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]phenyl]sulfanylmethyl]benzoyl]amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66587984
5-[4-[[2-[2-[[3-(2-morpholin-4-ylethylcarbamoyl)benzoyl]amino]-5-piperidin-1-ylphenyl]-4-pyridinyl]sulfanylmethyl]phenyl]-3-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-1-N-(2-pyridin-2-ylethyl)benzene-1,3-dicarboxamide
CID 123911976
5-[4-[[2-[2-[[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoyl]amino]-5-piperidin-1-ylphenyl]-4-pyridinyl]sulfanylmethyl]phenyl]-3-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-1-N-(2-pyridin-2-ylethyl)benzene-1,3-dicarboxamide
CID 123950226
2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(4-propylsulfonylphenyl)methyl]benzamide;ethane;3-fluoro-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 144032829
N-[3-[7-(2-aminoethyl)-1-benzyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-methylbenzamide;N-[3-[7-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-methylbenzamide;N-[3-[7-(2-aminoethyl)-2-oxo-1-propyl-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-methylbenzamide;N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;1-(benzenesulfonyl)-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzenesulfonamide;methane
CID 157078104
2-(1-cyanocyclopropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(4-cyano-3-morpholin-4-ylphenyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-cyclopropyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(4-methylsulfonyl-3-morpholin-4-ylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157480854
2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-(4-ethylphenyl)sulfonylpropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;N-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methoxyethyl)propanamide
CID 157983857
2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]-3-oxopropyl]phenyl]sulfonylpropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 158173116
2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)carbamoyl]phenyl]sulfonylpropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 158599662
N-[3-[7-(2-aminoethyl)-1-benzyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-methylbenzamide;N-[3-[7-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-methylbenzamide;N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;1-(benzenesulfonyl)-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]benzenesulfonamide;methane
CID 159362581
3-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 159442798
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 160351848

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide (CID 159092193) is N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CN(C)C)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cccc(C(=O)N2CCNCC2)c1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)c1cccc(NC(=O)C(F)(F)F)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCN(CC)Cc1ccc(C(C)C)cc1.CCN(CC)S(=O)(=O)c1ccc(C(C)C)cc1.CNC(=O)c1cccc(C(C)C)c1.
What is the InChIKey of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is KCEZOFCYWNWLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C15H24N2.C14H22N2O2S.C14H20N2O.C14H22N2.C14H21NO2S.C14H19NO2.C14H21NO.C14H23N.C13H20N2O2S.C13H19NO3S.C13H21NO2S.C12H17NO.C12H19N.C11H12F3NO.C11H17NO2S.C11H15NO.C9H13NO2S.3C8H11N/c1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-4-3-5-13(10-12)14(17)16-8-6-15-7-9-16;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16;1-11(2)12-3-5-13(6-4-12)18(16,17)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-5-15(6-2)11-13-7-9-14(10-8-13)12(3)4;1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15;1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14;1-5-14(6-2)17(15,16)13-9-7-12(8-10-13)11(3)4;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-7(2)8-4-3-5-9(6-8)15-10(16)11(12,13)14;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h4-6,11-12H,7-10H2,1-3H3;4-7,13H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-5,10-11,15H,6-9H2,1-2H3;3-6,12,15H,7-11H2,1-2H3;3-6,11,14-15H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-10,12H,5-6,11H2,1-4H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;7-11H,5-6H2,1-4H3;5-9H,1-4H3;5-8,10H,9H2,1-4H3;3-7H,1-2H3,(H,15,16);5-9H,1-4H3;4-8H,1-3H3,(H,12,13);3-7H,1-2H3,(H2,10,11,12);3*3-7H,1-2H3.
What are the key properties of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide?
N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 4497.50 g/mol, XLogP of 48.56, 54 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 159092193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).