N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide

C19H25N3O4S — CID 113071299

IUPACN-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
SMILESCN(C)c1ccc(N(CCNC(=O)COc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H25N3O4S/c1-21(2)16-9-11-17(12-10-16)22(27(3,24)25)14-13-20-19(23)15-26-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,20,23)
InChIKeyROPCJOXLZCTAIM-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.71
Rot. Bonds9

About N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide

N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide (PubChem CID 113071299) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
PubChem CID113071299
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
SMILESCN(C)c1ccc(N(CCNC(=O)COc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H25N3O4S/c1-21(2)16-9-11-17(12-10-16)22(27(3,24)25)14-13-20-19(23)15-26-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,20,23)
InChIKeyROPCJOXLZCTAIM-UHFFFAOYSA-N
XLogP1.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113071655
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113071835
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-methylbutyl)acetamide
CID 30129108
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide (CID 113071299) is N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide is CN(C)c1ccc(N(CCNC(=O)COc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide?
The InChIKey is ROPCJOXLZCTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-21(2)16-9-11-17(12-10-16)22(27(3,24)25)14-13-20-19(23)15-26-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide?
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide has a molecular weight of 391.49 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113071299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).