N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide

C20H20N2O5S — CID 72549905

IUPACN-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide
SMILESCOc1cc(=O)n(C)cc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
InChIInChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3
InChIKeyRHNWTJMCFPHSQX-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.22
Rot. Bonds6

About N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide

N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide (PubChem CID 72549905) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide
PubChem CID72549905
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide
SMILESCOc1cc(=O)n(C)cc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
InChIInChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3
InChIKeyRHNWTJMCFPHSQX-UHFFFAOYSA-N
XLogP3.22
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide (CID 72549905) is N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide is COc1cc(=O)n(C)cc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1.
What is the InChIKey of N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide?
The InChIKey is RHNWTJMCFPHSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3.
What are the key properties of N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide?
N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide is sourced from PubChem (CID 72549905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).