2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide

C14H16N2O4S — CID 75416538

IUPAC2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide
SMILESCOC(C)C(=O)NS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C14H16N2O4S/c1-9-7-11-5-4-6-12(13(11)15-8-9)21(18,19)16-14(17)10(2)20-3/h4-8,10H,1-3H3,(H,16,17)
InChIKeyZXYHBUFIMGVHBA-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.38
Rot. Bonds4

About 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide

2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide (PubChem CID 75416538) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide
PubChem CID75416538
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide
SMILESCOC(C)C(=O)NS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C14H16N2O4S/c1-9-7-11-5-4-6-12(13(11)15-8-9)21(18,19)16-14(17)10(2)20-3/h4-8,10H,1-3H3,(H,16,17)
InChIKeyZXYHBUFIMGVHBA-UHFFFAOYSA-N
XLogP1.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide?
The IUPAC name of 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide (CID 75416538) is 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide.
What is the SMILES notation for 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide?
The canonical SMILES for 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide is COC(C)C(=O)NS(=O)(=O)c1cccc2cc(C)cnc12.
What is the InChIKey of 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide?
The InChIKey is ZXYHBUFIMGVHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-7-11-5-4-6-12(13(11)15-8-9)21(18,19)16-14(17)10(2)20-3/h4-8,10H,1-3H3,(H,16,17).
What are the key properties of 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide?
2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide has a molecular weight of 308.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide is sourced from PubChem (CID 75416538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).