2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol

C190H293N17O16S5 — CID 157419369

IUPAC2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
SMILESCC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCOCC2)c1.CC(C)(C)c1ccccc1C1CCNCC1.CC(C)(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1.CC(C)(C)c1ccccc1N1CCNCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCC(O)C1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCNCC1.CN(C)CCOc1ccccc1C(C)(C)C.CN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN1CCCC(c2ccccc2C(C)(C)C)C1.CN1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C16H24N2O.C16H25N.C16H24O.C15H24N2O2S.C15H24N2.C15H21NO2.C15H23N.C14H22N2O2S.C14H22N2.C14H21NO3S.C14H21NO2S.C14H23NO.C12H19NO2S/c1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-15(2,3)13-7-5-6-8-14(13)16-9-11-17(12-10-16)20(4,18)19;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;1-15(2,3)13-6-4-5-12(11-13)14(17)16-7-9-18-10-8-16;1-15(2,3)14-7-5-4-6-13(14)12-8-10-16-11-9-12;1-14(2,3)12-6-4-5-7-13(12)19(17,18)16-10-8-15-9-11-16;1-14(2,3)12-6-4-5-7-13(12)16-10-8-15-9-11-16;1-14(2,3)12-6-4-5-7-13(12)19(17,18)15-9-8-11(16)10-15;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-14(2,3)12-8-6-7-9-13(12)16-11-10-15(4)5;1-12(2,3)10-8-6-7-9-11(10)16(14,15)13(4)5/h5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;4-6,12-13H,7-11H2,1-3H3;5-8H,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;4-6,11H,7-10H2,1-3H3;4-7,12,16H,8-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-7,11,16H,8-10H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;6-9H,10-11H2,1-5H3;6-9H,1-5H3
InChIKeyBPFNNYJWTWENCI-UHFFFAOYSA-N
MW3231.87 g/mol
LogP34.75
Rot. Bonds22

About 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol

2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 157419369) has the molecular formula C190H293N17O16S5 and a molecular weight of 3231.87 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID157419369
Molecular FormulaC190H293N17O16S5
Molecular Weight3231.87 g/mol
Exact Mass3229.12
IUPAC Name2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
SMILESCC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCOCC2)c1.CC(C)(C)c1ccccc1C1CCNCC1.CC(C)(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1.CC(C)(C)c1ccccc1N1CCNCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCC(O)C1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCNCC1.CN(C)CCOc1ccccc1C(C)(C)C.CN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN1CCCC(c2ccccc2C(C)(C)C)C1.CN1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C16H24N2O.C16H25N.C16H24O.C15H24N2O2S.C15H24N2.C15H21NO2.C15H23N.C14H22N2O2S.C14H22N2.C14H21NO3S.C14H21NO2S.C14H23NO.C12H19NO2S/c1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-15(2,3)13-7-5-6-8-14(13)16-9-11-17(12-10-16)20(4,18)19;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;1-15(2,3)13-6-4-5-12(11-13)14(17)16-7-9-18-10-8-16;1-15(2,3)14-7-5-4-6-13(14)12-8-10-16-11-9-12;1-14(2,3)12-6-4-5-7-13(12)19(17,18)16-10-8-15-9-11-16;1-14(2,3)12-6-4-5-7-13(12)16-10-8-15-9-11-16;1-14(2,3)12-6-4-5-7-13(12)19(17,18)15-9-8-11(16)10-15;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-14(2,3)12-8-6-7-9-13(12)16-11-10-15(4)5;1-12(2,3)10-8-6-7-9-11(10)16(14,15)13(4)5/h5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;4-6,12-13H,7-11H2,1-3H3;5-8H,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;4-6,11H,7-10H2,1-3H3;4-7,12,16H,8-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-7,11,16H,8-10H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;6-9H,10-11H2,1-5H3;6-9H,1-5H3
InChIKeyBPFNNYJWTWENCI-UHFFFAOYSA-N
XLogP34.75
TPSA334.21 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003231.87
LogP ≤ 534.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol with MolForge

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Related Compounds

1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 157421155
1-tert-butyl-2,5-difluoro-4-methoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-[(3-fluorophenyl)methoxy]benzene;1-(5-tert-butyl-2-fluorophenyl)-2-phenylethanone;(5-tert-butyl-2-fluorophenyl)-piperidin-1-ylmethanone;(5-tert-butyl-2-fluorophenyl)-pyrrolidin-1-ylmethanone;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;2-tert-butyl-N-(2-hydroxyethyl)benzamide;4-(5-tert-butyl-2-methoxyphenyl)sulfonylmorpholine;N-(3-tert-butylphenyl)methanesulfonamide;1-tert-butyl-3-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;fluoromethane
CID 159995170
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine
CID 157447527
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;3-(3-tert-butylphenyl)pyrrolidine
CID 157457324
2-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl-(4-methylphenyl)sulfonylamino]ethyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;[2,3-dihydroxy-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;6-[(2-ethylphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]azanium;[1-[8-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 157476324
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;3-(3-tert-butylphenyl)pyrrolidine
CID 157653213
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;methane
CID 157659326
1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;4-(2-tert-butylphenyl)morpholine;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;5-(2-tert-butylphenyl)-2H-pyrrole;1-(2-tert-butylphenyl)sulfonylpiperidine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 157727235
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one;3-(3-tert-butylphenyl)pyrrolidine
CID 158045937
1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-2H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpiperidine;1-(2-tert-butylphenyl)sulfonylpyrrolidine
CID 158215308
2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 158370477
5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide
CID 158415279

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol (CID 157419369) is 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol is CC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCOCC2)c1.CC(C)(C)c1ccccc1C1CCNCC1.CC(C)(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1.CC(C)(C)c1ccccc1N1CCNCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCC(O)C1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCNCC1.CN(C)CCOc1ccccc1C(C)(C)C.CN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN1CCCC(c2ccccc2C(C)(C)C)C1.CN1CCN(c2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is BPFNNYJWTWENCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.C16H25N.C16H24O.C15H24N2O2S.C15H24N2.C15H21NO2.C15H23N.C14H22N2O2S.C14H22N2.C14H21NO3S.C14H21NO2S.C14H23NO.C12H19NO2S/c1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-15(2,3)13-7-5-6-8-14(13)16-9-11-17(12-10-16)20(4,18)19;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;1-15(2,3)13-6-4-5-12(11-13)14(17)16-7-9-18-10-8-16;1-15(2,3)14-7-5-4-6-13(14)12-8-10-16-11-9-12;1-14(2,3)12-6-4-5-7-13(12)19(17,18)16-10-8-15-9-11-16;1-14(2,3)12-6-4-5-7-13(12)16-10-8-15-9-11-16;1-14(2,3)12-6-4-5-7-13(12)19(17,18)15-9-8-11(16)10-15;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-14(2,3)12-8-6-7-9-13(12)16-11-10-15(4)5;1-12(2,3)10-8-6-7-9-11(10)16(14,15)13(4)5/h5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;4-6,12-13H,7-11H2,1-3H3;5-8H,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;4-6,11H,7-10H2,1-3H3;4-7,12,16H,8-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-7,11,16H,8-10H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;6-9H,10-11H2,1-5H3;6-9H,1-5H3.
What are the key properties of 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol?
2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 3231.87 g/mol, XLogP of 34.75, 22 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 157419369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).