2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide

C13H20N2O5S — CID 113149351

IUPAC2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O5S/c1-19-8-7-15(21(3,17)18)10-13(16)14-11-5-4-6-12(9-11)20-2/h4-6,9H,7-8,10H2,1-3H3,(H,14,16)
InChIKeyIELKGKBQSZYFCR-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.54
Rot. Bonds8

About 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide

2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 113149351) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID113149351
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O5S/c1-19-8-7-15(21(3,17)18)10-13(16)14-11-5-4-6-12(9-11)20-2/h4-6,9H,7-8,10H2,1-3H3,(H,14,16)
InChIKeyIELKGKBQSZYFCR-UHFFFAOYSA-N
XLogP0.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
methyl 3-[[2-[2-methoxyethyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113149369
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113149314
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113149350
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide (CID 113149351) is 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide is COCCN(CC(=O)Nc1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is IELKGKBQSZYFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-19-8-7-15(21(3,17)18)10-13(16)14-11-5-4-6-12(9-11)20-2/h4-6,9H,7-8,10H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113149351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).