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

C19H24N2O4S — CID 113152304

IUPAC2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(CCN(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-20(17-7-5-4-6-8-17)19(22)15-21(26(3,23)24)14-13-16-9-11-18(25-2)12-10-16/h4-12H,13-15H2,1-3H3
InChIKeyYXVJQAHQWPTHCE-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.16
Rot. Bonds8

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

2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide (PubChem CID 113152304) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide
PubChem CID113152304
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(CCN(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-20(17-7-5-4-6-8-17)19(22)15-21(26(3,23)24)14-13-16-9-11-18(25-2)12-10-16/h4-12H,13-15H2,1-3H3
InChIKeyYXVJQAHQWPTHCE-UHFFFAOYSA-N
XLogP2.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide
CID 113140488
N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 100794874
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152317
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
CID 42111354
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152263
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113165999
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide (CID 113152304) is 2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide is COc1ccc(CCN(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide?
The InChIKey is YXVJQAHQWPTHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-20(17-7-5-4-6-8-17)19(22)15-21(26(3,23)24)14-13-16-9-11-18(25-2)12-10-16/h4-12H,13-15H2,1-3H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide?
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 113152304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).