(5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

C21H21FN2O5S — CID 55649316

IUPAC(5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(F)c3cccnc23)cc1
InChIInChI=1S/C21H21FN2O5S/c1-2-28-16-6-8-17(9-7-16)30(26,27)24-13-11-20(25)29-14-15-5-10-19(22)18-4-3-12-23-21(15)18/h3-10,12,24H,2,11,13-14H2,1H3
InChIKeyXSDSNJJJQWOBLP-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.18
Rot. Bonds9

About (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

(5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (PubChem CID 55649316) has the molecular formula C21H21FN2O5S and a molecular weight of 432.47 g/mol. Its IUPAC name is (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
PubChem CID55649316
Molecular FormulaC21H21FN2O5S
Molecular Weight432.47 g/mol
Exact Mass432.12
IUPAC Name(5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(F)c3cccnc23)cc1
InChIInChI=1S/C21H21FN2O5S/c1-2-28-16-6-8-17(9-7-16)30(26,27)24-13-11-20(25)29-14-15-5-10-19(22)18-4-3-12-23-21(15)18/h3-10,12,24H,2,11,13-14H2,1H3
InChIKeyXSDSNJJJQWOBLP-UHFFFAOYSA-N
XLogP3.18
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzothiophen-3-ylmethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 55884702
2-(4-methylphenoxy)ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792619
(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18226800
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
(4-cyanophenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3665647
3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)propanamide
CID 18109310
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 4043608
(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18204568
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
(1,3-dioxoisoindol-2-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2570645
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3892246

Frequently Asked Questions

What is the IUPAC name of (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (CID 55649316) is (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is CCOc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(F)c3cccnc23)cc1.
What is the InChIKey of (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The InChIKey is XSDSNJJJQWOBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5S/c1-2-28-16-6-8-17(9-7-16)30(26,27)24-13-11-20(25)29-14-15-5-10-19(22)18-4-3-12-23-21(15)18/h3-10,12,24H,2,11,13-14H2,1H3.
What are the key properties of (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
(5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate has a molecular weight of 432.47 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55649316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).