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

C15H24N2O3S — CID 113068768

IUPACN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCc1ccc(N(CCNC(=O)C(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)15(18)16-8-9-17(21(5,19)20)14-7-6-12(3)10-13(14)4/h6-7,10-11H,8-9H2,1-5H3,(H,16,18)
InChIKeyXZXVNGDRCYSQNB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.84
Rot. Bonds6

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

N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (PubChem CID 113068768) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
PubChem CID113068768
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCc1ccc(N(CCNC(=O)C(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)15(18)16-8-9-17(21(5,19)20)14-7-6-12(3)10-13(14)4/h6-7,10-11H,8-9H2,1-5H3,(H,16,18)
InChIKeyXZXVNGDRCYSQNB-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113068774
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113068604
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113068804
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (CID 113068768) is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide is Cc1ccc(N(CCNC(=O)C(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The InChIKey is XZXVNGDRCYSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)15(18)16-8-9-17(21(5,19)20)14-7-6-12(3)10-13(14)4/h6-7,10-11H,8-9H2,1-5H3,(H,16,18).
What are the key properties of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 1.84, 6 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-methylpropanamide is sourced from PubChem (CID 113068768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).