2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

C17H21N3O4S — CID 1118194

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-24-16-9-7-15(8-10-16)20(25(2,22)23)13-17(21)19-12-14-6-4-5-11-18-14/h4-11H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyOBHSZZQBYNYBIW-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.56
Rot. Bonds8

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1118194) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1118194
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-24-16-9-7-15(8-10-16)20(25(2,22)23)13-17(21)19-12-14-6-4-5-11-18-14/h4-11H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyOBHSZZQBYNYBIW-UHFFFAOYSA-N
XLogP1.56
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
CID 50944930
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1076312
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 3163372
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 654680
2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113155724
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 2262311
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2176065

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 1118194) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is CCOc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is OBHSZZQBYNYBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-24-16-9-7-15(8-10-16)20(25(2,22)23)13-17(21)19-12-14-6-4-5-11-18-14/h4-11H,3,12-13H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1118194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).