2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide

C16H19N3O4S — CID 816069

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O4S/c1-3-23-15-9-5-4-8-14(15)19(24(2,21)22)12-16(20)18-13-7-6-10-17-11-13/h4-11H,3,12H2,1-2H3,(H,18,20)
InChIKeyGDNKISHGKWLUOG-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.88
Rot. Bonds7

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 816069) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID816069
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O4S/c1-3-23-15-9-5-4-8-14(15)19(24(2,21)22)12-16(20)18-13-7-6-10-17-11-13/h4-11H,3,12H2,1-2H3,(H,18,20)
InChIKeyGDNKISHGKWLUOG-UHFFFAOYSA-N
XLogP1.88
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide (CID 816069) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide is CCOc1ccccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is GDNKISHGKWLUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-23-15-9-5-4-8-14(15)19(24(2,21)22)12-16(20)18-13-7-6-10-17-11-13/h4-11H,3,12H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 349.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 816069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).