2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide

C22H23FN2O2S — CID 43843753

IUPAC2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)NCCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H23FN2O2S/c1-3-20(27-19-10-8-17(23)9-11-19)21(26)24-13-12-18-14-28-22(25-18)16-6-4-15(2)5-7-16/h4-11,14,20H,3,12-13H2,1-2H3,(H,24,26)
InChIKeyAMGQPSDTFVWTHL-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.77
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide

2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide (PubChem CID 43843753) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
PubChem CID43843753
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC Name2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)NCCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H23FN2O2S/c1-3-20(27-19-10-8-17(23)9-11-19)21(26)24-13-12-18-14-28-22(25-18)16-6-4-15(2)5-7-16/h4-11,14,20H,3,12-13H2,1-2H3,(H,24,26)
InChIKeyAMGQPSDTFVWTHL-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-ethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342111
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35341887
2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 43843190
(2S)-2-(4-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819774
(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 35340568
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522183
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide (CID 43843753) is 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide is CCC(Oc1ccc(F)cc1)C(=O)NCCc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
The InChIKey is AMGQPSDTFVWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-3-20(27-19-10-8-17(23)9-11-19)21(26)24-13-12-18-14-28-22(25-18)16-6-4-15(2)5-7-16/h4-11,14,20H,3,12-13H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide has a molecular weight of 398.50 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide is sourced from PubChem (CID 43843753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).