N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide

C18H22N2O4S — CID 113066570

IUPACN-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-25(22,23)20(14-16-8-4-2-5-9-16)13-12-19-18(21)15-24-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,19,21)
InChIKeyJKCOPZQXFDRYHY-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.64
Rot. Bonds9

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

N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide (PubChem CID 113066570) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
PubChem CID113066570
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-25(22,23)20(14-16-8-4-2-5-9-16)13-12-19-18(21)15-24-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,19,21)
InChIKeyJKCOPZQXFDRYHY-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
CID 113067176
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
CID 113067274
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113067436
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
CID 113071299
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843
2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
CID 113066480
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113065381
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-methylbutyl)acetamide
CID 30129108

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide (CID 113066570) is N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide is CS(=O)(=O)N(CCNC(=O)COc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide?
The InChIKey is JKCOPZQXFDRYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-25(22,23)20(14-16-8-4-2-5-9-16)13-12-19-18(21)15-24-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,19,21).
What are the key properties of N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide?
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide has a molecular weight of 362.45 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113066570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).