3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine

C226H328Cl2F2N16O27S8 — CID 160820915

IUPAC3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(S(=O)(=O)NCc2ccco2)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1Cl.CC(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.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.CNC(=O)c1cccc(C(C)(C)C)c1.CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.COc1cc(N(C)C)ccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C15H19NO3S.C14H21NO3S.C13H21NO2S.C13H19NO.C13H21NO.2C13H19NO.2C12H19NO2S.2C12H17NO.C11H15FO.C11H17NO2S.2C11H15NO.C10H12ClF.C10H13Cl.2C10H15NO2S/c1-15(2,3)12-6-8-14(9-7-12)20(17,18)16-11-13-5-4-10-19-13;1-14(2,3)12-4-6-13(7-5-12)19(16,17)15-8-10-18-11-9-15;1-10(2)14-17(15,16)12-8-6-11(7-9-12)13(3,4)5;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;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;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;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;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13/h4-10,16H,11H2,1-3H3;4-7H,8-11H2,1-3H3;6-10,14H,1-5H3;3-6,11H,7-10H2,1-2H3;7-9H,1-6H3;2*6-9H,1-5H3;2*6-9H,1-5H3;2*5-8H,1-4H3,(H,13,14);5-7H,1-4H3;5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3,(H2,11,12,13)
InChIKeySFNPZXAXLSIRED-UHFFFAOYSA-N
MW4066.63 g/mol
LogP47.83
Rot. Bonds28

About 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine

3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine (PubChem CID 160820915) has the molecular formula C226H328Cl2F2N16O27S8 and a molecular weight of 4066.63 g/mol. Its IUPAC name is 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine
PubChem CID160820915
Molecular FormulaC226H328Cl2F2N16O27S8
Molecular Weight4066.63 g/mol
Exact Mass4062.19
IUPAC Name3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(S(=O)(=O)NCc2ccco2)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1Cl.CC(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.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.CNC(=O)c1cccc(C(C)(C)C)c1.CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.COc1cc(N(C)C)ccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C15H19NO3S.C14H21NO3S.C13H21NO2S.C13H19NO.C13H21NO.2C13H19NO.2C12H19NO2S.2C12H17NO.C11H15FO.C11H17NO2S.2C11H15NO.C10H12ClF.C10H13Cl.2C10H15NO2S/c1-15(2,3)12-6-8-14(9-7-12)20(17,18)16-11-13-5-4-10-19-13;1-14(2,3)12-4-6-13(7-5-12)19(16,17)15-8-10-18-11-9-15;1-10(2)14-17(15,16)12-8-6-11(7-9-12)13(3,4)5;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;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;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;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;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13/h4-10,16H,11H2,1-3H3;4-7H,8-11H2,1-3H3;6-10,14H,1-5H3;3-6,11H,7-10H2,1-2H3;7-9H,1-6H3;2*6-9H,1-5H3;2*6-9H,1-5H3;2*5-8H,1-4H3,(H,13,14);5-7H,1-4H3;5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3,(H2,11,12,13)
InChIKeySFNPZXAXLSIRED-UHFFFAOYSA-N
XLogP47.83
TPSA612.51 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004066.63
LogP ≤ 547.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine?
The IUPAC name of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine (CID 160820915) is 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine?
The canonical SMILES for 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine is CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(S(=O)(=O)NCc2ccco2)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1Cl.CC(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.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.CNC(=O)c1cccc(C(C)(C)C)c1.CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.COc1cc(N(C)C)ccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1F.
What is the InChIKey of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine?
The InChIKey is SFNPZXAXLSIRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S.C14H21NO3S.C13H21NO2S.C13H19NO.C13H21NO.2C13H19NO.2C12H19NO2S.2C12H17NO.C11H15FO.C11H17NO2S.2C11H15NO.C10H12ClF.C10H13Cl.2C10H15NO2S/c1-15(2,3)12-6-8-14(9-7-12)20(17,18)16-11-13-5-4-10-19-13;1-14(2,3)12-4-6-13(7-5-12)19(16,17)15-8-10-18-11-9-15;1-10(2)14-17(15,16)12-8-6-11(7-9-12)13(3,4)5;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;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;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;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;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13/h4-10,16H,11H2,1-3H3;4-7H,8-11H2,1-3H3;6-10,14H,1-5H3;3-6,11H,7-10H2,1-2H3;7-9H,1-6H3;2*6-9H,1-5H3;2*6-9H,1-5H3;2*5-8H,1-4H3,(H,13,14);5-7H,1-4H3;5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3,(H2,11,12,13).
What are the key properties of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine?
3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine has a molecular weight of 4066.63 g/mol, XLogP of 47.83, 28 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 160820915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).