2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone

C164H229ClN14O13S4 — CID 158011129

IUPAC2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Nc2cc(C(C)(C)C)ccn2)C1.CC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)(C)c1nccc2ccccc12.CN(CCOc1cccc(C(C)(C)C)c1)CC(N)=O
InChIInChI=1S/C17H25NO.2C16H25NO2S.C15H24N2O2.C14H21N3O.C14H22N2O2S.C13H15N.C12H14ClN.C12H15N.C12H16O2.C12H14O.C11H13NS/c1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;2*1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-15(2,3)12-6-5-7-13(10-12)19-9-8-17(4)11-14(16)18;1-10(18)17-8-12(9-17)16-13-7-11(5-6-15-13)14(2,3)4;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h5-7,11,15H,8-10,12H2,1-4H3;2*5-7,11,14H,8-10,12H2,1-4H3;5-7,10H,8-9,11H2,1-4H3,(H2,16,18);5-7,12H,8-9H2,1-4H3,(H,15,16);5-6,8,11H,7,9-10H2,1-4H3;4-9H,1-3H3;4-7,14H,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/t15-;2*14-;;;;;;;;;/m110........./s1
InChIKeyFEWYMVJKIYMEQH-FWZWBLCSSA-N
MW2768.44 g/mol
LogP35.82
Rot. Bonds19

About 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone

2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone (PubChem CID 158011129) has the molecular formula C164H229ClN14O13S4 and a molecular weight of 2768.44 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
PubChem CID158011129
Molecular FormulaC164H229ClN14O13S4
Molecular Weight2768.44 g/mol
Exact Mass2765.63
IUPAC Name2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Nc2cc(C(C)(C)C)ccn2)C1.CC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)(C)c1nccc2ccccc12.CN(CCOc1cccc(C(C)(C)C)c1)CC(N)=O
InChIInChI=1S/C17H25NO.2C16H25NO2S.C15H24N2O2.C14H21N3O.C14H22N2O2S.C13H15N.C12H14ClN.C12H15N.C12H16O2.C12H14O.C11H13NS/c1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;2*1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-15(2,3)12-6-5-7-13(10-12)19-9-8-17(4)11-14(16)18;1-10(18)17-8-12(9-17)16-13-7-11(5-6-15-13)14(2,3)4;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h5-7,11,15H,8-10,12H2,1-4H3;2*5-7,11,14H,8-10,12H2,1-4H3;5-7,10H,8-9,11H2,1-4H3,(H2,16,18);5-7,12H,8-9H2,1-4H3,(H,15,16);5-6,8,11H,7,9-10H2,1-4H3;4-9H,1-3H3;4-7,14H,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/t15-;2*14-;;;;;;;;;/m110........./s1
InChIKeyFEWYMVJKIYMEQH-FWZWBLCSSA-N
XLogP35.82
TPSA335.09 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002768.44
LogP ≤ 535.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 157326688
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 158174447
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 158193775
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 158386084
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;methane;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 159448199
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 160009331
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 160029599
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 160221961
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 161035737
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 161288800
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
CID 157082365
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 158569087

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone?
The IUPAC name of 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone (CID 158011129) is 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone?
The canonical SMILES for 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone is CC(=O)N1CC(Nc2cc(C(C)(C)C)ccn2)C1.CC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)(C)c1nccc2ccccc12.CN(CCOc1cccc(C(C)(C)C)c1)CC(N)=O.
What is the InChIKey of 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone?
The InChIKey is FEWYMVJKIYMEQH-FWZWBLCSSA-N. The full InChI is InChI=1S/C17H25NO.2C16H25NO2S.C15H24N2O2.C14H21N3O.C14H22N2O2S.C13H15N.C12H14ClN.C12H15N.C12H16O2.C12H14O.C11H13NS/c1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;2*1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-15(2,3)12-6-5-7-13(10-12)19-9-8-17(4)11-14(16)18;1-10(18)17-8-12(9-17)16-13-7-11(5-6-15-13)14(2,3)4;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h5-7,11,15H,8-10,12H2,1-4H3;2*5-7,11,14H,8-10,12H2,1-4H3;5-7,10H,8-9,11H2,1-4H3,(H2,16,18);5-7,12H,8-9H2,1-4H3,(H,15,16);5-6,8,11H,7,9-10H2,1-4H3;4-9H,1-3H3;4-7,14H,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/t15-;2*14-;;;;;;;;;/m110........./s1.
What are the key properties of 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone?
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone has a molecular weight of 2768.44 g/mol, XLogP of 35.82, 19 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone is sourced from PubChem (CID 158011129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).