2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide

C15H17N3O4S — CID 976705

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H17N3O4S/c1-22-14-7-5-13(6-8-14)18(23(2,20)21)11-15(19)17-12-4-3-9-16-10-12/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyBXLSVICXCIATMI-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.49
Rot. Bonds6

About 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide

2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 976705) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID976705
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H17N3O4S/c1-22-14-7-5-13(6-8-14)18(23(2,20)21)11-15(19)17-12-4-3-9-16-10-12/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyBXLSVICXCIATMI-UHFFFAOYSA-N
XLogP1.49
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide (CID 976705) is 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide is COc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is BXLSVICXCIATMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-22-14-7-5-13(6-8-14)18(23(2,20)21)11-15(19)17-12-4-3-9-16-10-12/h3-10H,11H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 335.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 976705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).