N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

C26H23F2N3O4S — CID 118117023

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cnc(C)s2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C26H23F2N3O4S/c1-4-34-24-12-26(33)31(3)14-20(24)19-10-17(30-25(32)11-18-13-29-15(2)36-18)6-8-22(19)35-23-7-5-16(27)9-21(23)28/h5-10,12-14H,4,11H2,1-3H3,(H,30,32)
InChIKeyZGQOAYWWKZFUIU-UHFFFAOYSA-N
MW511.55 g/mol
LogP5.47
Rot. Bonds8

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (PubChem CID 118117023) has the molecular formula C26H23F2N3O4S and a molecular weight of 511.55 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
PubChem CID118117023
Molecular FormulaC26H23F2N3O4S
Molecular Weight511.55 g/mol
Exact Mass511.14
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cnc(C)s2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C26H23F2N3O4S/c1-4-34-24-12-26(33)31(3)14-20(24)19-10-17(30-25(32)11-18-13-29-15(2)36-18)6-8-22(19)35-23-7-5-16(27)9-21(23)28/h5-10,12-14H,4,11H2,1-3H3,(H,30,32)
InChIKeyZGQOAYWWKZFUIU-UHFFFAOYSA-N
XLogP5.47
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.55
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (CID 118117023) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cnc(C)s2)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is ZGQOAYWWKZFUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O4S/c1-4-34-24-12-26(33)31(3)14-20(24)19-10-17(30-25(32)11-18-13-29-15(2)36-18)6-8-22(19)35-23-7-5-16(27)9-21(23)28/h5-10,12-14H,4,11H2,1-3H3,(H,30,32).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 511.55 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 118117023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).