6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C28H26FN3O6S — CID 121250495

IUPAC6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)cc1F
InChIInChI=1S/C28H26FN3O6S/c1-5-37-23-11-8-19(15-21(23)29)22-10-9-20(26(33)32-39(35,36)24-7-6-12-30-27(24)34)28(31-22)38-25-17(3)13-16(2)14-18(25)4/h6-15H,5H2,1-4H3,(H,30,34)(H,32,33)
InChIKeyVTCOTHDHVGZIMN-UHFFFAOYSA-N
MW551.60 g/mol
LogP4.81
Rot. Bonds8

About 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121250495) has the molecular formula C28H26FN3O6S and a molecular weight of 551.60 g/mol. Its IUPAC name is 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121250495
Molecular FormulaC28H26FN3O6S
Molecular Weight551.60 g/mol
Exact Mass551.15
IUPAC Name6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)cc1F
InChIInChI=1S/C28H26FN3O6S/c1-5-37-23-11-8-19(15-21(23)29)22-10-9-20(26(33)32-39(35,36)24-7-6-12-30-27(24)34)28(31-22)38-25-17(3)13-16(2)14-18(25)4/h6-15H,5H2,1-4H3,(H,30,34)(H,32,33)
InChIKeyVTCOTHDHVGZIMN-UHFFFAOYSA-N
XLogP4.81
TPSA127.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.60
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121250495) is 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is CCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)cc1F.
What is the InChIKey of 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is VTCOTHDHVGZIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O6S/c1-5-37-23-11-8-19(15-21(23)29)22-10-9-20(26(33)32-39(35,36)24-7-6-12-30-27(24)34)28(31-22)38-25-17(3)13-16(2)14-18(25)4/h6-15H,5H2,1-4H3,(H,30,34)(H,32,33).
What are the key properties of 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 551.60 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).