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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide

C181H291N25O17S8 — CID 162186935

IUPAC3-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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide
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)N1CCCC(c2c(NS(C)(=O)=O)cccc2C(C)(C)C)C1.CC(C)c1cccc(N2CCN(C)CC2)c1S(=O)(=O)N(C)C.CC(C)c1cccc(N2CCN(C3CC3)CC2)c1S(=O)(=O)N(C)C.CC(C)c1ccccc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1.CC1CN(c2cccc(C(C)C)c2S(=O)(=O)N(C)C)CCN1.CCN1CCN(c2cccc(C(C)C)c2S(=O)(=O)N(C)C)CC1.CN1CC[C@@H](CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C19H32N2O2S.C18H29N3O2S.C17H29N3O2S.C17H28N2O2S.2C16H27N3O2S.C16H21N3O.2C16H26N2O2S.2C15H23N/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;1-14(2)16-6-5-7-17(18(16)24(22,23)19(3)4)21-12-10-20(11-13-21)15-8-9-15;1-6-19-10-12-20(13-11-19)16-9-7-8-15(14(2)3)17(16)23(21,22)18(4)5;1-17(2,3)15-8-6-7-9-16(15)22(20,21)19(5)13-14-10-11-18(4)12-14;1-13(2)14-7-6-8-15(16(14)22(20,21)17(3)4)19-11-9-18(5)10-12-19;1-12(2)14-7-6-8-15(16(14)22(20,21)18(4)5)19-10-9-17-13(3)11-19;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)13-8-5-9-14(18-21(4,19)20)15(13)12-7-6-10-17-11-12;1-13(2)15-7-5-6-8-16(15)21(19,20)18(4)12-14-9-10-17(3)11-14;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12/h7,10-11,14-15,20H,8-9,12-13H2,1-6H3;5-7,14-15H,8-13H2,1-4H3;7-9,14H,6,10-13H2,1-5H3;6-9,14H,10-13H2,1-5H3;6-8,13H,9-12H2,1-5H3;6-8,12-13,17H,9-11H2,1-5H3;4-6,9-11H,7-8H2,1-3H3,(H,17,18)(H,19,20);5,8-9,12,17-18H,6-7,10-11H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3/t;;;14-;;;;;14-;2*12-/m...1....010/s1
InChIKeyZPTVRDCMWMLMPN-JAFXLXGPSA-N
MW3346.01 g/mol
LogP29.50
Rot. Bonds40

About 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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide

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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide (PubChem CID 162186935) has the molecular formula C181H291N25O17S8 and a molecular weight of 3346.01 g/mol. Its IUPAC name is 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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide
PubChem CID162186935
Molecular FormulaC181H291N25O17S8
Molecular Weight3346.01 g/mol
Exact Mass3343.04
IUPAC Name3-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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide
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)N1CCCC(c2c(NS(C)(=O)=O)cccc2C(C)(C)C)C1.CC(C)c1cccc(N2CCN(C)CC2)c1S(=O)(=O)N(C)C.CC(C)c1cccc(N2CCN(C3CC3)CC2)c1S(=O)(=O)N(C)C.CC(C)c1ccccc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1.CC1CN(c2cccc(C(C)C)c2S(=O)(=O)N(C)C)CCN1.CCN1CCN(c2cccc(C(C)C)c2S(=O)(=O)N(C)C)CC1.CN1CC[C@@H](CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C19H32N2O2S.C18H29N3O2S.C17H29N3O2S.C17H28N2O2S.2C16H27N3O2S.C16H21N3O.2C16H26N2O2S.2C15H23N/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;1-14(2)16-6-5-7-17(18(16)24(22,23)19(3)4)21-12-10-20(11-13-21)15-8-9-15;1-6-19-10-12-20(13-11-19)16-9-7-8-15(14(2)3)17(16)23(21,22)18(4)5;1-17(2,3)15-8-6-7-9-16(15)22(20,21)19(5)13-14-10-11-18(4)12-14;1-13(2)14-7-6-8-15(16(14)22(20,21)17(3)4)19-11-9-18(5)10-12-19;1-12(2)14-7-6-8-15(16(14)22(20,21)18(4)5)19-10-9-17-13(3)11-19;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)13-8-5-9-14(18-21(4,19)20)15(13)12-7-6-10-17-11-12;1-13(2)15-7-5-6-8-16(15)21(19,20)18(4)12-14-9-10-17(3)11-14;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12/h7,10-11,14-15,20H,8-9,12-13H2,1-6H3;5-7,14-15H,8-13H2,1-4H3;7-9,14H,6,10-13H2,1-5H3;6-9,14H,10-13H2,1-5H3;6-8,13H,9-12H2,1-5H3;6-8,12-13,17H,9-11H2,1-5H3;4-6,9-11H,7-8H2,1-3H3,(H,17,18)(H,19,20);5,8-9,12,17-18H,6-7,10-11H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3/t;;;14-;;;;;14-;2*12-/m...1....010/s1
InChIKeyZPTVRDCMWMLMPN-JAFXLXGPSA-N
XLogP29.50
TPSA454.92 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003346.01
LogP ≤ 529.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide 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
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
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
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
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
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
3-tert-butyl-N-[2-(1H-imidazol-2-yl)ethyl]benzamide;2-tert-butyl-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide;N-[3-tert-butyl-2-(1-propan-2-ylpiperidin-3-yl)phenyl]methanesulfonamide
CID 161341090
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;5-(3-tert-butylphenyl)-1-methylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-2-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;methane
CID 161599951

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-[[(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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide (CID 162186935) is 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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide 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)N1CCCC(c2c(NS(C)(=O)=O)cccc2C(C)(C)C)C1.CC(C)c1cccc(N2CCN(C)CC2)c1S(=O)(=O)N(C)C.CC(C)c1cccc(N2CCN(C3CC3)CC2)c1S(=O)(=O)N(C)C.CC(C)c1ccccc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1.CC1CN(c2cccc(C(C)C)c2S(=O)(=O)N(C)C)CCN1.CCN1CCN(c2cccc(C(C)C)c2S(=O)(=O)N(C)C)CC1.CN1CC[C@@H](CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1.
What is the InChIKey of 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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide?
The InChIKey is ZPTVRDCMWMLMPN-JAFXLXGPSA-N. The full InChI is InChI=1S/C19H32N2O2S.C18H29N3O2S.C17H29N3O2S.C17H28N2O2S.2C16H27N3O2S.C16H21N3O.2C16H26N2O2S.2C15H23N/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;1-14(2)16-6-5-7-17(18(16)24(22,23)19(3)4)21-12-10-20(11-13-21)15-8-9-15;1-6-19-10-12-20(13-11-19)16-9-7-8-15(14(2)3)17(16)23(21,22)18(4)5;1-17(2,3)15-8-6-7-9-16(15)22(20,21)19(5)13-14-10-11-18(4)12-14;1-13(2)14-7-6-8-15(16(14)22(20,21)17(3)4)19-11-9-18(5)10-12-19;1-12(2)14-7-6-8-15(16(14)22(20,21)18(4)5)19-10-9-17-13(3)11-19;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)13-8-5-9-14(18-21(4,19)20)15(13)12-7-6-10-17-11-12;1-13(2)15-7-5-6-8-16(15)21(19,20)18(4)12-14-9-10-17(3)11-14;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12/h7,10-11,14-15,20H,8-9,12-13H2,1-6H3;5-7,14-15H,8-13H2,1-4H3;7-9,14H,6,10-13H2,1-5H3;6-9,14H,10-13H2,1-5H3;6-8,13H,9-12H2,1-5H3;6-8,12-13,17H,9-11H2,1-5H3;4-6,9-11H,7-8H2,1-3H3,(H,17,18)(H,19,20);5,8-9,12,17-18H,6-7,10-11H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3/t;;;14-;;;;;14-;2*12-/m...1....010/s1.
What are the key properties of 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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide?
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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide has a molecular weight of 3346.01 g/mol, XLogP of 29.50, 40 rotatable bonds, 8 hydrogen bond donors, and 32 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-[[(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;2-(4-cyclopropylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(3-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6-propan-2-ylbenzenesulfonamide;2-(4-ethylpiperazin-1-yl)-N,N-dimethyl-6-propan-2-ylbenzenesulfonamide;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 162186935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).