4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine

C204H301F2N11O16S5 — CID 160730119

IUPAC4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine
SMILESC=C(N)c1cccc(C(C)(C)C)c1.C=C(NC)c1cccc(C(C)(C)C)c1.C=C(c1cccc(C(C)(C)C)c1)N(C)C.CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CCc1ccccc1C(C)(C)C.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1.CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.COc1cc(N(C)C)ccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C14H21NO.C14H21N.C13H21NO.C13H19NO.C13H19N.2C12H19NO2S.C12H17NO.C12H17N.C12H16O.C12H18.C11H15FO.C11H15F.C11H17NO2S.C11H16O2S.C11H16.C10H15NO2S/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(15(5)6)12-8-7-9-13(10-12)14(2,3)4;1-13(2,3)11-8-7-10(14(4)5)9-12(11)15-6;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-10(14-5)11-7-6-8-12(9-11)13(2,3)4;1-12(2,3)10-6-8-11(9-7-10)16(14,15)13(4)5;1-12(2,3)10-7-6-8-11(9-10)16(14,15)13(4)5;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-5-10-8-6-7-9-11(10)12(2,3)4;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,8-11H2,1-3H3;7-10H,1H2,2-6H3;7-9H,1-6H3;6-9H,1-5H3;6-9,14H,1H2,2-5H3;2*6-9H,1-5H3;5-8H,1-4H3,(H,13,14);5-8H,1,13H2,2-4H3;5-8H,1-4H3;6-9H,5H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H2,11,12,13)
InChIKeyRUFMEZIBQDUAPM-UHFFFAOYSA-N
MW3362.04 g/mol
LogP47.48
Rot. Bonds21

About 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine

4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine (PubChem CID 160730119) has the molecular formula C204H301F2N11O16S5 and a molecular weight of 3362.04 g/mol. Its IUPAC name is 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine.

Molecular Properties

Compound Name4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine
PubChem CID160730119
Molecular FormulaC204H301F2N11O16S5
Molecular Weight3362.04 g/mol
Exact Mass3359.16
IUPAC Name4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine
SMILESC=C(N)c1cccc(C(C)(C)C)c1.C=C(NC)c1cccc(C(C)(C)C)c1.C=C(c1cccc(C(C)(C)C)c1)N(C)C.CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CCc1ccccc1C(C)(C)C.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1.CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.COc1cc(N(C)C)ccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C14H21NO.C14H21N.C13H21NO.C13H19NO.C13H19N.2C12H19NO2S.C12H17NO.C12H17N.C12H16O.C12H18.C11H15FO.C11H15F.C11H17NO2S.C11H16O2S.C11H16.C10H15NO2S/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(15(5)6)12-8-7-9-13(10-12)14(2,3)4;1-13(2,3)11-8-7-10(14(4)5)9-12(11)15-6;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-10(14-5)11-7-6-8-12(9-11)13(2,3)4;1-12(2,3)10-6-8-11(9-7-10)16(14,15)13(4)5;1-12(2,3)10-7-6-8-11(9-10)16(14,15)13(4)5;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-5-10-8-6-7-9-11(10)12(2,3)4;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,8-11H2,1-3H3;7-10H,1H2,2-6H3;7-9H,1-6H3;6-9H,1-5H3;6-9,14H,1H2,2-5H3;2*6-9H,1-5H3;5-8H,1-4H3,(H,13,14);5-8H,1,13H2,2-4H3;5-8H,1-4H3;6-9H,5H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H2,11,12,13)
InChIKeyRUFMEZIBQDUAPM-UHFFFAOYSA-N
XLogP47.48
TPSA357.17 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003362.04
LogP ≤ 547.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine with MolForge

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Related Compounds

4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;tert-butyl N-[(4-tert-butylphenyl)methyl]carbamate;1-tert-butyl-2,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;4-tert-butyl-N-[2-(dimethylamino)ethyl]benzamide;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2-ethoxybenzene;1-tert-butyl-4-ethoxybenzene;2-tert-butyl-1-ethyl-4-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-propan-2-yloxybenzene;2-tert-butyl-1,3,5-trimethylbenzene;N,4-ditert-butylbenzenesulfonamide
CID 158438933
4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;2-(4-tert-butyl-2-fluorophenoxy)ethanol;1-[2-(4-tert-butyl-2-fluorophenoxy)ethyl]piperidine;3-(4-tert-butyl-2-fluorophenyl)-N,N-dimethylpropan-1-amine;1-(4-tert-butyl-2-fluorophenyl)-4-methylpiperazine;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-N-methylbenzamide;1-(4-tert-butyl-2-methylphenyl)-4-methylpiperazine;4-tert-butyl-1,2-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperidine
CID 162235239
3-tert-butylbenzamide;bis(4-tert-butylbenzamide);4-tert-butylbenzenesulfonamide;3-tert-butylbenzonitrile;1-tert-butyl-4-chlorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;1-(3-tert-butylphenyl)-2-cyclopropylethanone;N-(3-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(3-tert-butylphenyl)propan-1-one;5-(4-tert-butylphenyl)-2H-tetrazole;1-tert-butyl-4-(trifluoromethyl)benzene;4-[(2-methylpropan-2-yl)oxy]pyridine
CID 161296224
5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55669624
methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate
CID 31767085
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 43900215
3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide
CID 159093848
N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612863
3-ethoxy-4-methoxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645741
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24516663
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 34736303

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine?
The IUPAC name of 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine (CID 160730119) is 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine.
What is the SMILES notation for 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine?
The canonical SMILES for 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine is C=C(N)c1cccc(C(C)(C)C)c1.C=C(NC)c1cccc(C(C)(C)C)c1.C=C(c1cccc(C(C)(C)C)c1)N(C)C.CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CCc1ccccc1C(C)(C)C.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1.CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.COc1cc(N(C)C)ccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine?
The InChIKey is RUFMEZIBQDUAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C14H21N.C13H21NO.C13H19NO.C13H19N.2C12H19NO2S.C12H17NO.C12H17N.C12H16O.C12H18.C11H15FO.C11H15F.C11H17NO2S.C11H16O2S.C11H16.C10H15NO2S/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(15(5)6)12-8-7-9-13(10-12)14(2,3)4;1-13(2,3)11-8-7-10(14(4)5)9-12(11)15-6;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-10(14-5)11-7-6-8-12(9-11)13(2,3)4;1-12(2,3)10-6-8-11(9-7-10)16(14,15)13(4)5;1-12(2,3)10-7-6-8-11(9-10)16(14,15)13(4)5;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-5-10-8-6-7-9-11(10)12(2,3)4;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,8-11H2,1-3H3;7-10H,1H2,2-6H3;7-9H,1-6H3;6-9H,1-5H3;6-9,14H,1H2,2-5H3;2*6-9H,1-5H3;5-8H,1-4H3,(H,13,14);5-8H,1,13H2,2-4H3;5-8H,1-4H3;6-9H,5H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H2,11,12,13).
What are the key properties of 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine?
4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine has a molecular weight of 3362.04 g/mol, XLogP of 47.48, 21 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine is sourced from PubChem (CID 160730119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).