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

C20H26N2O4S — CID 113068804

IUPACN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCN(c2ccc(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-15-5-8-18(9-6-15)26-14-20(23)21-11-12-22(27(4,24)25)19-10-7-16(2)13-17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)
InChIKeyULXDIUVJFFMTKX-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.57
Rot. Bonds8

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

N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113068804) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID113068804
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCN(c2ccc(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-15-5-8-18(9-6-15)26-14-20(23)21-11-12-22(27(4,24)25)19-10-7-16(2)13-17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)
InChIKeyULXDIUVJFFMTKX-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
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]-2,2-dimethylpropanamide
CID 113068774
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113065381
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113065617
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113071835
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide (CID 113068804) is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCN(c2ccc(C)cc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is ULXDIUVJFFMTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-5-8-18(9-6-15)26-14-20(23)21-11-12-22(27(4,24)25)19-10-7-16(2)13-17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113068804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).