ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate

C17H22N2O5S — CID 55728980

IUPACethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate
SMILESCCOC(=O)CN(CCOC)S(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C17H22N2O5S/c1-4-24-16(20)12-19(8-9-23-3)25(21,22)15-7-5-6-14-10-13(2)11-18-17(14)15/h5-7,10-11H,4,8-9,12H2,1-3H3
InChIKeyVVHVVHYOFXSWOG-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.74
Rot. Bonds8

About ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate

ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate (PubChem CID 55728980) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate
PubChem CID55728980
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Nameethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate
SMILESCCOC(=O)CN(CCOC)S(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C17H22N2O5S/c1-4-24-16(20)12-19(8-9-23-3)25(21,22)15-7-5-6-14-10-13(2)11-18-17(14)15/h5-7,10-11H,4,8-9,12H2,1-3H3
InChIKeyVVHVVHYOFXSWOG-UHFFFAOYSA-N
XLogP1.74
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate (CID 55728980) is ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate is CCOC(=O)CN(CCOC)S(=O)(=O)c1cccc2cc(C)cnc12.
What is the InChIKey of ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate?
The InChIKey is VVHVVHYOFXSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-4-24-16(20)12-19(8-9-23-3)25(21,22)15-7-5-6-14-10-13(2)11-18-17(14)15/h5-7,10-11H,4,8-9,12H2,1-3H3.
What are the key properties of ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate?
ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate has a molecular weight of 366.44 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate is sourced from PubChem (CID 55728980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).