N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide

C32H28F2N4O5S — CID 118116400

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(N(Cc2cnccn2)S(=O)(=O)Cc2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C32H28F2N4O5S/c1-3-42-31-17-32(39)37(2)20-27(31)26-16-25(10-12-29(26)43-30-11-9-23(33)15-28(30)34)38(19-24-18-35-13-14-36-24)44(40,41)21-22-7-5-4-6-8-22/h4-18,20H,3,19,21H2,1-2H3
InChIKeyGRQCMNNJLHZKSE-UHFFFAOYSA-N
MW618.66 g/mol
LogP5.85
Rot. Bonds11

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide (PubChem CID 118116400) has the molecular formula C32H28F2N4O5S and a molecular weight of 618.66 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide
PubChem CID118116400
Molecular FormulaC32H28F2N4O5S
Molecular Weight618.66 g/mol
Exact Mass618.17
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(N(Cc2cnccn2)S(=O)(=O)Cc2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C32H28F2N4O5S/c1-3-42-31-17-32(39)37(2)20-27(31)26-16-25(10-12-29(26)43-30-11-9-23(33)15-28(30)34)38(19-24-18-35-13-14-36-24)44(40,41)21-22-7-5-4-6-8-22/h4-18,20H,3,19,21H2,1-2H3
InChIKeyGRQCMNNJLHZKSE-UHFFFAOYSA-N
XLogP5.85
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.66
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide (CID 118116400) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide is CCOc1cc(=O)n(C)cc1-c1cc(N(Cc2cnccn2)S(=O)(=O)Cc2ccccc2)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide?
The InChIKey is GRQCMNNJLHZKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4O5S/c1-3-42-31-17-32(39)37(2)20-27(31)26-16-25(10-12-29(26)43-30-11-9-23(33)15-28(30)34)38(19-24-18-35-13-14-36-24)44(40,41)21-22-7-5-4-6-8-22/h4-18,20H,3,19,21H2,1-2H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide has a molecular weight of 618.66 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyrazin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 118116400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).