N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide

C23H22F2N2O4S — CID 58541311

IUPACN-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide
SMILESCCNC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2Oc2c(F)cccc2OC)n1
InChIInChI=1S/C23H22F2N2O4S/c1-3-26-21(29)11-16-13-32-22(27-16)12-17(28)10-14-9-15(24)7-8-19(14)31-23-18(25)5-4-6-20(23)30-2/h4-9,13H,3,10-12H2,1-2H3,(H,26,29)
InChIKeyJXESYTPTWAKZEC-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.26
Rot. Bonds10

About N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide

N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 58541311) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide
PubChem CID58541311
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC NameN-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide
SMILESCCNC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2Oc2c(F)cccc2OC)n1
InChIInChI=1S/C23H22F2N2O4S/c1-3-26-21(29)11-16-13-32-22(27-16)12-17(28)10-14-9-15(24)7-8-19(14)31-23-18(25)5-4-6-20(23)30-2/h4-9,13H,3,10-12H2,1-2H3,(H,26,29)
InChIKeyJXESYTPTWAKZEC-UHFFFAOYSA-N
XLogP4.26
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide (CID 58541311) is N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide is CCNC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2Oc2c(F)cccc2OC)n1.
What is the InChIKey of N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is JXESYTPTWAKZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-3-26-21(29)11-16-13-32-22(27-16)12-17(28)10-14-9-15(24)7-8-19(14)31-23-18(25)5-4-6-20(23)30-2/h4-9,13H,3,10-12H2,1-2H3,(H,26,29).
What are the key properties of N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide?
N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 460.50 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 58541311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).