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

C13H20N2O3S — CID 113068765

IUPACN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-10-5-6-13(11(2)9-10)15(19(4,17)18)8-7-14-12(3)16/h5-6,9H,7-8H2,1-4H3,(H,14,16)
InChIKeyBMHBHFZCTVIWHD-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.21
Rot. Bonds5

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

N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide (PubChem CID 113068765) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
PubChem CID113068765
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-10-5-6-13(11(2)9-10)15(19(4,17)18)8-7-14-12(3)16/h5-6,9H,7-8H2,1-4H3,(H,14,16)
InChIKeyBMHBHFZCTVIWHD-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
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
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113068804
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321
methyl N-[2-(4-bromo-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113071605
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068823

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide (CID 113068765) is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide is CC(=O)NCCN(c1ccc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide?
The InChIKey is BMHBHFZCTVIWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-5-6-13(11(2)9-10)15(19(4,17)18)8-7-14-12(3)16/h5-6,9H,7-8H2,1-4H3,(H,14,16).
What are the key properties of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide?
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.21, 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]acetamide is sourced from PubChem (CID 113068765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).