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

C15H18N2O4S — CID 71940251

IUPAC2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide
SMILESCCOC(C)C(=O)NS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C15H18N2O4S/c1-4-21-11(3)15(18)17-22(19,20)13-7-5-6-12-8-10(2)9-16-14(12)13/h5-9,11H,4H2,1-3H3,(H,17,18)
InChIKeyGSVSBSLPCXENHG-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.77
Rot. Bonds5

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

2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide (PubChem CID 71940251) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide
PubChem CID71940251
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide
SMILESCCOC(C)C(=O)NS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C15H18N2O4S/c1-4-21-11(3)15(18)17-22(19,20)13-7-5-6-12-8-10(2)9-16-14(12)13/h5-9,11H,4H2,1-3H3,(H,17,18)
InChIKeyGSVSBSLPCXENHG-UHFFFAOYSA-N
XLogP1.77
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide?
The IUPAC name of 2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide (CID 71940251) is 2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide.
What is the SMILES notation for 2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide?
The canonical SMILES for 2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide is CCOC(C)C(=O)NS(=O)(=O)c1cccc2cc(C)cnc12.
What is the InChIKey of 2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide?
The InChIKey is GSVSBSLPCXENHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-4-21-11(3)15(18)17-22(19,20)13-7-5-6-12-8-10(2)9-16-14(12)13/h5-9,11H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide?
2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide has a molecular weight of 322.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-methylquinolin-8-yl)sulfonylpropanamide is sourced from PubChem (CID 71940251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).