N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide

C16H26N2O3S — CID 113068774

IUPACN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(N(CCNC(=O)C(C)(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H26N2O3S/c1-12-7-8-14(13(2)11-12)18(22(6,20)21)10-9-17-15(19)16(3,4)5/h7-8,11H,9-10H2,1-6H3,(H,17,19)
InChIKeyVGVAJJOXUJVYEH-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.23
Rot. Bonds5

About N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide

N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide (PubChem CID 113068774) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
PubChem CID113068774
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(N(CCNC(=O)C(C)(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H26N2O3S/c1-12-7-8-14(13(2)11-12)18(22(6,20)21)10-9-17-15(19)16(3,4)5/h7-8,11H,9-10H2,1-6H3,(H,17,19)
InChIKeyVGVAJJOXUJVYEH-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113068804
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072003
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide (CID 113068774) is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide is Cc1ccc(N(CCNC(=O)C(C)(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is VGVAJJOXUJVYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-7-8-14(13(2)11-12)18(22(6,20)21)10-9-17-15(19)16(3,4)5/h7-8,11H,9-10H2,1-6H3,(H,17,19).
What are the key properties of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 326.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113068774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).