N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide

C19H24N2O5S — CID 113067176

IUPACN-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
SMILESCOc1ccc(CN(CCNC(=O)COc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-17-10-8-16(9-11-17)14-21(27(2,23)24)13-12-20-19(22)15-26-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyWLVUUHMSMJOUOO-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.65
Rot. Bonds10

About N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide

N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide (PubChem CID 113067176) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
PubChem CID113067176
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
SMILESCOc1ccc(CN(CCNC(=O)COc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-17-10-8-16(9-11-17)14-21(27(2,23)24)13-12-20-19(22)15-26-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyWLVUUHMSMJOUOO-UHFFFAOYSA-N
XLogP1.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 30128830
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
CID 113067274
2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
CID 113066480
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113065381
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113067193
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide (CID 113067176) is N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide is COc1ccc(CN(CCNC(=O)COc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide?
The InChIKey is WLVUUHMSMJOUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-25-17-10-8-16(9-11-17)14-21(27(2,23)24)13-12-20-19(22)15-26-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide?
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide has a molecular weight of 392.48 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113067176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).