N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide

C19H24N2O4S — CID 113066843

IUPACN-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
SMILESCC(c1ccccc1)N(CCNC(=O)COc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-16(17-9-5-3-6-10-17)21(26(2,23)24)14-13-20-19(22)15-25-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22)
InChIKeyLHHHZFYARQXENF-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.20
Rot. Bonds9

About N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide

N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide (PubChem CID 113066843) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
PubChem CID113066843
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
SMILESCC(c1ccccc1)N(CCNC(=O)COc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-16(17-9-5-3-6-10-17)21(26(2,23)24)14-13-20-19(22)15-25-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22)
InChIKeyLHHHZFYARQXENF-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
CID 113066857
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113065617
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066828
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
CID 113071299
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150811
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
CID 113067176
2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066850

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide (CID 113066843) is N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide is CC(c1ccccc1)N(CCNC(=O)COc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide?
The InChIKey is LHHHZFYARQXENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-16(17-9-5-3-6-10-17)21(26(2,23)24)14-13-20-19(22)15-25-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide?
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113066843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).