N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide

C21H19FN2O3S — CID 31433095

IUPACN-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1
InChIInChI=1S/C21H19FN2O3S/c1-3-24(14(2)25)21-23-18(13-28-21)12-27-19-10-6-16(7-11-19)20(26)15-4-8-17(22)9-5-15/h4-11,13H,3,12H2,1-2H3
InChIKeyWYQQLPVCASTWGH-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.47
Rot. Bonds7

About N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 31433095) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID31433095
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1
InChIInChI=1S/C21H19FN2O3S/c1-3-24(14(2)25)21-23-18(13-28-21)12-27-19-10-6-16(7-11-19)20(26)15-4-8-17(22)9-5-15/h4-11,13H,3,12H2,1-2H3
InChIKeyWYQQLPVCASTWGH-UHFFFAOYSA-N
XLogP4.47
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide (CID 31433095) is N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WYQQLPVCASTWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-3-24(14(2)25)21-23-18(13-28-21)12-27-19-10-6-16(7-11-19)20(26)15-4-8-17(22)9-5-15/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 31433095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).