3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide

C161H252N18O11S5 — CID 160563351

IUPAC3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide
SMILESCC(C)(C)c1cccc(C(=O)NCCc2ncc[nH]2)c1.CC(C)(C)c1cccc(NS(C)(=O)=O)c1C1CCCNC1.CC(C)(C)c1ccccc1[C@@H]1CCCNC1.CC(C)(C)c1ccccc1[C@H]1CCCNC1.CC(C)N(C)CCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CC(C)N1CCCC(c2c(NS(C)(=O)=O)cccc2C(C)(C)C)C1.CN1CC(CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1.CN1CCCCC1c1ccccc1C(C)(C)C.CN1CC[C@@H](CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1.Cn1cc(-c2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C19H32N2O2S.C17H28N2O2S.C17H30N2O2S.C16H21N3O.2C16H26N2O2S.C16H25N.2C15H23N.C14H18N2/c1-14(2)21-12-8-9-15(13-21)18-16(19(3,4)5)10-7-11-17(18)20-24(6,22)23;1-17(2,3)15-8-6-7-9-16(15)22(20,21)19(5)13-14-10-11-18(4)12-14;1-14(2)18(6)12-13-19(7)22(20,21)16-11-9-8-10-15(16)17(3,4)5;1-16(2,3)13-6-4-5-12(11-13)15(20)19-8-7-14-17-9-10-18-14;1-16(2,3)14-8-6-7-9-15(14)21(19,20)18(5)12-13-10-17(4)11-13;1-16(2,3)13-8-5-9-14(18-21(4,19)20)15(13)12-7-6-10-17-11-12;1-16(2,3)14-10-6-5-9-13(14)15-11-7-8-12-17(15)4;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-14(2,3)13-15-12(10-16(13)4)11-8-6-5-7-9-11/h7,10-11,14-15,20H,8-9,12-13H2,1-6H3;6-9,14H,10-13H2,1-5H3;8-11,14H,12-13H2,1-7H3;4-6,9-11H,7-8H2,1-3H3,(H,17,18)(H,19,20);6-9,13H,10-12H2,1-5H3;5,8-9,12,17-18H,6-7,10-11H2,1-4H3;5-6,9-10,15H,7-8,11-12H2,1-4H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;5-10H,1-4H3/t;14-;;;;;;2*12-;/m.1.....10./s1
InChIKeyQZPKCPHSMQEVMI-HTZTUXRKSA-N
MW2776.24 g/mol
LogP31.54
Rot. Bonds29

About 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide

3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide (PubChem CID 160563351) has the molecular formula C161H252N18O11S5 and a molecular weight of 2776.24 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide
PubChem CID160563351
Molecular FormulaC161H252N18O11S5
Molecular Weight2776.24 g/mol
Exact Mass2773.83
IUPAC Name3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide
SMILESCC(C)(C)c1cccc(C(=O)NCCc2ncc[nH]2)c1.CC(C)(C)c1cccc(NS(C)(=O)=O)c1C1CCCNC1.CC(C)(C)c1ccccc1[C@@H]1CCCNC1.CC(C)(C)c1ccccc1[C@H]1CCCNC1.CC(C)N(C)CCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CC(C)N1CCCC(c2c(NS(C)(=O)=O)cccc2C(C)(C)C)C1.CN1CC(CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1.CN1CCCCC1c1ccccc1C(C)(C)C.CN1CC[C@@H](CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1.Cn1cc(-c2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C19H32N2O2S.C17H28N2O2S.C17H30N2O2S.C16H21N3O.2C16H26N2O2S.C16H25N.2C15H23N.C14H18N2/c1-14(2)21-12-8-9-15(13-21)18-16(19(3,4)5)10-7-11-17(18)20-24(6,22)23;1-17(2,3)15-8-6-7-9-16(15)22(20,21)19(5)13-14-10-11-18(4)12-14;1-14(2)18(6)12-13-19(7)22(20,21)16-11-9-8-10-15(16)17(3,4)5;1-16(2,3)13-6-4-5-12(11-13)15(20)19-8-7-14-17-9-10-18-14;1-16(2,3)14-8-6-7-9-15(14)21(19,20)18(5)12-13-10-17(4)11-13;1-16(2,3)13-8-5-9-14(18-21(4,19)20)15(13)12-7-6-10-17-11-12;1-16(2,3)14-10-6-5-9-13(14)15-11-7-8-12-17(15)4;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-14(2,3)13-15-12(10-16(13)4)11-8-6-5-7-9-11/h7,10-11,14-15,20H,8-9,12-13H2,1-6H3;6-9,14H,10-13H2,1-5H3;8-11,14H,12-13H2,1-7H3;4-6,9-11H,7-8H2,1-3H3,(H,17,18)(H,19,20);6-9,13H,10-12H2,1-5H3;5,8-9,12,17-18H,6-7,10-11H2,1-4H3;5-6,9-10,15H,7-8,11-12H2,1-4H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;5-10H,1-4H3/t;14-;;;;;;2*12-;/m.1.....10./s1
InChIKeyQZPKCPHSMQEVMI-HTZTUXRKSA-N
XLogP31.54
TPSA332.37 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002776.24
LogP ≤ 531.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide
CID 157238734
2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;5-(3-tert-butylphenyl)-1-methylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide
CID 157493480
1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;5-tert-butyl-N,N-dimethylpyridin-3-amine;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylbenzene;6-tert-butyl-1-methylindazole;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-3H-pyrrole;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;2-tert-butyl-3-propan-2-ylpyridine;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;methane
CID 157519181
N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;3-tert-butyl-2-piperidin-3-yl-N-propan-2-ylaniline
CID 158148019
N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide
CID 158400516
2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;tert-butyl N-(2-tert-butylphenyl)carbamate;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;3-(2-tert-butylphenyl)azetidine;2-(2-tert-butylphenyl)-1H-imidazole;5-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;2-tert-butyl-3-propan-2-ylpyridine
CID 158929287
1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane
CID 159243334
N-[2-(cyclohexen-1-yl)-4-(2-ethyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 159317179
2-tert-butyl-N,N-dimethyl-6-piperazin-1-ylbenzenesulfonamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;5-(3-tert-butylphenyl)-1-methylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-2-methylpiperidine;2-(2-tert-butylphenyl)piperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide
CID 159493565
3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide
CID 159796151
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-quinolin-8-ylbenzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide;N,N-dibenzyl-4-[(benzylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;methane;4-[(pyridin-2-ylmethylamino)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 160334031
3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide
CID 160344820

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide?
The IUPAC name of 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide (CID 160563351) is 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide is CC(C)(C)c1cccc(C(=O)NCCc2ncc[nH]2)c1.CC(C)(C)c1cccc(NS(C)(=O)=O)c1C1CCCNC1.CC(C)(C)c1ccccc1[C@@H]1CCCNC1.CC(C)(C)c1ccccc1[C@H]1CCCNC1.CC(C)N(C)CCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CC(C)N1CCCC(c2c(NS(C)(=O)=O)cccc2C(C)(C)C)C1.CN1CC(CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1.CN1CCCCC1c1ccccc1C(C)(C)C.CN1CC[C@@H](CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1.Cn1cc(-c2ccccc2)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide?
The InChIKey is QZPKCPHSMQEVMI-HTZTUXRKSA-N. The full InChI is InChI=1S/C19H32N2O2S.C17H28N2O2S.C17H30N2O2S.C16H21N3O.2C16H26N2O2S.C16H25N.2C15H23N.C14H18N2/c1-14(2)21-12-8-9-15(13-21)18-16(19(3,4)5)10-7-11-17(18)20-24(6,22)23;1-17(2,3)15-8-6-7-9-16(15)22(20,21)19(5)13-14-10-11-18(4)12-14;1-14(2)18(6)12-13-19(7)22(20,21)16-11-9-8-10-15(16)17(3,4)5;1-16(2,3)13-6-4-5-12(11-13)15(20)19-8-7-14-17-9-10-18-14;1-16(2,3)14-8-6-7-9-15(14)21(19,20)18(5)12-13-10-17(4)11-13;1-16(2,3)13-8-5-9-14(18-21(4,19)20)15(13)12-7-6-10-17-11-12;1-16(2,3)14-10-6-5-9-13(14)15-11-7-8-12-17(15)4;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-14(2,3)13-15-12(10-16(13)4)11-8-6-5-7-9-11/h7,10-11,14-15,20H,8-9,12-13H2,1-6H3;6-9,14H,10-13H2,1-5H3;8-11,14H,12-13H2,1-7H3;4-6,9-11H,7-8H2,1-3H3,(H,17,18)(H,19,20);6-9,13H,10-12H2,1-5H3;5,8-9,12,17-18H,6-7,10-11H2,1-4H3;5-6,9-10,15H,7-8,11-12H2,1-4H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;5-10H,1-4H3/t;14-;;;;;;2*12-;/m.1.....10./s1.
What are the key properties of 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide?
3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide has a molecular weight of 2776.24 g/mol, XLogP of 31.54, 29 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)methanesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 160563351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).