4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide

C21H20FN3O5S — CID 46389220

IUPAC4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H20FN3O5S/c1-29-13-12-23-21(26)15-2-7-18(8-3-15)30-20-11-6-17(14-24-20)25-31(27,28)19-9-4-16(22)5-10-19/h2-11,14,25H,12-13H2,1H3,(H,23,26)
InChIKeyIABYOABSAOMGNX-UHFFFAOYSA-N
MW445.47 g/mol
LogP3.19
Rot. Bonds9

About 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide

4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide (PubChem CID 46389220) has the molecular formula C21H20FN3O5S and a molecular weight of 445.47 g/mol. Its IUPAC name is 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
PubChem CID46389220
Molecular FormulaC21H20FN3O5S
Molecular Weight445.47 g/mol
Exact Mass445.11
IUPAC Name4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H20FN3O5S/c1-29-13-12-23-21(26)15-2-7-18(8-3-15)30-20-11-6-17(14-24-20)25-31(27,28)19-9-4-16(22)5-10-19/h2-11,14,25H,12-13H2,1H3,(H,23,26)
InChIKeyIABYOABSAOMGNX-UHFFFAOYSA-N
XLogP3.19
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide
CID 46389249
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089121
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55847190
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119849115
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide (CID 46389220) is 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
The InChIKey is IABYOABSAOMGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O5S/c1-29-13-12-23-21(26)15-2-7-18(8-3-15)30-20-11-6-17(14-24-20)25-31(27,28)19-9-4-16(22)5-10-19/h2-11,14,25H,12-13H2,1H3,(H,23,26).
What are the key properties of 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide has a molecular weight of 445.47 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46389220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).