3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one

C135H203N11O13S4 — CID 157181882

IUPAC3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(C(C)(C)C)c1.CC(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(CN2CCNCC2)c1.CC(C)(C)c1cccc(CS(C)(=O)=O)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1NS(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CN(C)CCOc1cccc(C(C)(C)C)c1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C16H26N2.C15H24N2.C14H23NO.C13H18O.C12H17NO.C12H18O2S.C11H17NO2S.2C11H15NO.2C10H15NO2S/c1-16(2,3)15-7-5-6-14(12-15)13-18-10-8-17(4)9-11-18;1-15(2,3)14-6-4-5-13(11-14)12-17-9-7-16-8-10-17;1-14(2,3)12-7-6-8-13(11-12)16-10-9-15(4)5;1-10(14)8-11-6-5-7-12(9-11)13(2,3)4;1-9(14)13-11-7-5-10(6-8-11)12(2,3)4;1-12(2,3)11-7-5-6-10(8-11)9-15(4,13)14;1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14;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)8-5-4-6-9(7-8)14(11,12)13;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h5-7,12H,8-11,13H2,1-4H3;4-6,11,16H,7-10,12H2,1-3H3;6-8,11H,9-10H2,1-5H3;5-7,9H,8H2,1-4H3;5-8H,1-4H3,(H,13,14);5-8H,9H2,1-4H3;5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13)
InChIKeyAOQUWFRTDAMODU-UHFFFAOYSA-N
MW2316.44 g/mol
LogP26.42
Rot. Bonds19

About 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one

3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one (PubChem CID 157181882) has the molecular formula C135H203N11O13S4 and a molecular weight of 2316.44 g/mol. Its IUPAC name is 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one.

Molecular Properties

Compound Name3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one
PubChem CID157181882
Molecular FormulaC135H203N11O13S4
Molecular Weight2316.44 g/mol
Exact Mass2314.44
IUPAC Name3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(C(C)(C)C)c1.CC(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(CN2CCNCC2)c1.CC(C)(C)c1cccc(CS(C)(=O)=O)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1NS(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CN(C)CCOc1cccc(C(C)(C)C)c1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C16H26N2.C15H24N2.C14H23NO.C13H18O.C12H17NO.C12H18O2S.C11H17NO2S.2C11H15NO.2C10H15NO2S/c1-16(2,3)15-7-5-6-14(12-15)13-18-10-8-17(4)9-11-18;1-15(2,3)14-6-4-5-13(11-14)12-17-9-7-16-8-10-17;1-14(2,3)12-7-6-8-13(11-12)16-10-9-15(4)5;1-10(14)8-11-6-5-7-12(9-11)13(2,3)4;1-9(14)13-11-7-5-10(6-8-11)12(2,3)4;1-12(2,3)11-7-5-6-10(8-11)9-15(4,13)14;1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14;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)8-5-4-6-9(7-8)14(11,12)13;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h5-7,12H,8-11,13H2,1-4H3;4-6,11,16H,7-10,12H2,1-3H3;6-8,11H,9-10H2,1-5H3;5-7,9H,8H2,1-4H3;5-8H,1-4H3,(H,13,14);5-8H,9H2,1-4H3;5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13)
InChIKeyAOQUWFRTDAMODU-UHFFFAOYSA-N
XLogP26.42
TPSA367.20 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002316.44
LogP ≤ 526.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one?
The IUPAC name of 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one (CID 157181882) is 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one.
What is the SMILES notation for 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one?
The canonical SMILES for 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one is CC(=O)Cc1cccc(C(C)(C)C)c1.CC(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(CN2CCNCC2)c1.CC(C)(C)c1cccc(CS(C)(=O)=O)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1NS(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CN(C)CCOc1cccc(C(C)(C)C)c1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one?
The InChIKey is AOQUWFRTDAMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C15H24N2.C14H23NO.C13H18O.C12H17NO.C12H18O2S.C11H17NO2S.2C11H15NO.2C10H15NO2S/c1-16(2,3)15-7-5-6-14(12-15)13-18-10-8-17(4)9-11-18;1-15(2,3)14-6-4-5-13(11-14)12-17-9-7-16-8-10-17;1-14(2,3)12-7-6-8-13(11-12)16-10-9-15(4)5;1-10(14)8-11-6-5-7-12(9-11)13(2,3)4;1-9(14)13-11-7-5-10(6-8-11)12(2,3)4;1-12(2,3)11-7-5-6-10(8-11)9-15(4,13)14;1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14;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)8-5-4-6-9(7-8)14(11,12)13;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h5-7,12H,8-11,13H2,1-4H3;4-6,11,16H,7-10,12H2,1-3H3;6-8,11H,9-10H2,1-5H3;5-7,9H,8H2,1-4H3;5-8H,1-4H3,(H,13,14);5-8H,9H2,1-4H3;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;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one?
3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one has a molecular weight of 2316.44 g/mol, XLogP of 26.42, 19 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one is sourced from PubChem (CID 157181882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).