N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide

C22H23FN2O5S — CID 72548029

IUPACN-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3
InChIKeyVJWDZBRGMCEYRR-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.14
Rot. Bonds8

About N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide

N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide (PubChem CID 72548029) has the molecular formula C22H23FN2O5S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide
PubChem CID72548029
Molecular FormulaC22H23FN2O5S
Molecular Weight446.50 g/mol
Exact Mass446.13
IUPAC NameN-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3
InChIKeyVJWDZBRGMCEYRR-UHFFFAOYSA-N
XLogP4.14
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide (CID 72548029) is N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide is CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide?
The InChIKey is VJWDZBRGMCEYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3.
What are the key properties of N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide?
N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide has a molecular weight of 446.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 72548029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).