N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide

C19H24N2O4S — CID 113150734

IUPACN-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(Cc2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-25-18-10-8-17(9-11-18)20-19(22)14-21(26(3,23)24)13-16-7-5-6-15(2)12-16/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyCLUMCYSDFLIWOU-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.79
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide

N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113150734) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113150734
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(Cc2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-25-18-10-8-17(9-11-18)20-19(22)14-21(26(3,23)24)13-16-7-5-6-15(2)12-16/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyCLUMCYSDFLIWOU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113150711
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 113151047
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945635
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1100045
N-(4-chlorophenyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138932
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150637
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51342544
2-[benzyl-(3,4-dichlorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695357

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide (CID 113150734) is N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide is CCOc1ccc(NC(=O)CN(Cc2cccc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is CLUMCYSDFLIWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-25-18-10-8-17(9-11-18)20-19(22)14-21(26(3,23)24)13-16-7-5-6-15(2)12-16/h5-12H,4,13-14H2,1-3H3,(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide?
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113150734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).