4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide

C22H21FN2O4S — CID 78878927

IUPAC4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-3-29-16-7-4-14(5-8-16)19(26)9-11-21(27)25-22-24-18(13-30-22)17-12-15(23)6-10-20(17)28-2/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,24,25,27)
InChIKeyHOVLEIGNICFORQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.96
Rot. Bonds9

About 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide

4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide (PubChem CID 78878927) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide
PubChem CID78878927
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-3-29-16-7-4-14(5-8-16)19(26)9-11-21(27)25-22-24-18(13-30-22)17-12-15(23)6-10-20(17)28-2/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,24,25,27)
InChIKeyHOVLEIGNICFORQ-UHFFFAOYSA-N
XLogP4.96
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55723018
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55722660
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55722948
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 17404839
3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55722696
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
CID 8873260
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 24593910
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide (CID 78878927) is 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide?
The InChIKey is HOVLEIGNICFORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-3-29-16-7-4-14(5-8-16)19(26)9-11-21(27)25-22-24-18(13-30-22)17-12-15(23)6-10-20(17)28-2/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,24,25,27).
What are the key properties of 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide has a molecular weight of 428.49 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 78878927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).