3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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

C182H269N15O25S8 — CID 158601126

IUPAC3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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
SMILESCC(C)(C)c1ccc(C(N)=O)cc1.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)NS(=O)(=O)c1ccc(C(C)(C)C)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
InChIInChI=1S/C15H19NO3S.C14H21NO3S.C13H21NO2S.C13H21NO.2C13H19NO.2C12H19NO2S.2C12H17NO.C11H17NO2S.2C11H15NO.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;1-13(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)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)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;7-9H,1-6H3;2*6-9H,1-5H3;2*6-9H,1-5H3;2*5-8H,1-4H3,(H,13,14);5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13)
InChIKeyHVQOPAAAIKWTPT-UHFFFAOYSA-N
MW3323.77 g/mol
LogP34.64
Rot. Bonds25

About 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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

3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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 (PubChem CID 158601126) has the molecular formula C182H269N15O25S8 and a molecular weight of 3323.77 g/mol. Its IUPAC name is 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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.

Molecular Properties

Compound Name3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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
PubChem CID158601126
Molecular FormulaC182H269N15O25S8
Molecular Weight3323.77 g/mol
Exact Mass3320.80
IUPAC Name3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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
SMILESCC(C)(C)c1ccc(C(N)=O)cc1.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)NS(=O)(=O)c1ccc(C(C)(C)C)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
InChIInChI=1S/C15H19NO3S.C14H21NO3S.C13H21NO2S.C13H21NO.2C13H19NO.2C12H19NO2S.2C12H17NO.C11H17NO2S.2C11H15NO.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;1-13(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)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)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;7-9H,1-6H3;2*6-9H,1-5H3;2*6-9H,1-5H3;2*5-8H,1-4H3,(H,13,14);5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13)
InChIKeyHVQOPAAAIKWTPT-UHFFFAOYSA-N
XLogP34.64
TPSA590.81 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003323.77
LogP ≤ 534.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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 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;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-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?
The IUPAC name of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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 (CID 158601126) is 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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.
What is the SMILES notation for 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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?
The canonical SMILES for 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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 is CC(C)(C)c1ccc(C(N)=O)cc1.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)NS(=O)(=O)c1ccc(C(C)(C)C)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.
What is the InChIKey of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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?
The InChIKey is HVQOPAAAIKWTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S.C14H21NO3S.C13H21NO2S.C13H21NO.2C13H19NO.2C12H19NO2S.2C12H17NO.C11H17NO2S.2C11H15NO.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;1-13(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)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)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;7-9H,1-6H3;2*6-9H,1-5H3;2*6-9H,1-5H3;2*5-8H,1-4H3,(H,13,14);5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);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;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-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?
3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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 has a molecular weight of 3323.77 g/mol, XLogP of 34.64, 25 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;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-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 is sourced from PubChem (CID 158601126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).