N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide

C19H24N2O4S — CID 113068926

IUPACN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
SMILESCc1ccc(N(CCNC(=O)COc2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N2O4S/c1-15-9-10-17(13-16(15)2)21(26(3,23)24)12-11-20-19(22)14-25-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyGDDHHCHYHLDYHP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.26
Rot. Bonds8

About N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide

N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide (PubChem CID 113068926) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
PubChem CID113068926
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
SMILESCc1ccc(N(CCNC(=O)COc2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N2O4S/c1-15-9-10-17(13-16(15)2)21(26(3,23)24)12-11-20-19(22)14-25-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyGDDHHCHYHLDYHP-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
CID 113071299
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-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113071835
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113068804
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113071507
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide (CID 113068926) is N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide is Cc1ccc(N(CCNC(=O)COc2ccccc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
The InChIKey is GDDHHCHYHLDYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-9-10-17(13-16(15)2)21(26(3,23)24)12-11-20-19(22)14-25-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113068926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).