N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

C28H25FN2O3S — CID 43023463

IUPACN-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C28H25FN2O3S/c1-17-13-18(2)26(19(3)14-17)31(20(4)32)28-30-24(16-35-28)15-34-25-11-7-22(8-12-25)27(33)21-5-9-23(29)10-6-21/h5-14,16H,15H2,1-4H3
InChIKeyDVVUHPYNFYLWJR-UHFFFAOYSA-N
MW488.58 g/mol
LogP6.70
Rot. Bonds7

About N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 43023463) has the molecular formula C28H25FN2O3S and a molecular weight of 488.58 g/mol. Its IUPAC name is N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID43023463
Molecular FormulaC28H25FN2O3S
Molecular Weight488.58 g/mol
Exact Mass488.16
IUPAC NameN-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C28H25FN2O3S/c1-17-13-18(2)26(19(3)14-17)31(20(4)32)28-30-24(16-35-28)15-34-25-11-7-22(8-12-25)27(33)21-5-9-23(29)10-6-21/h5-14,16H,15H2,1-4H3
InChIKeyDVVUHPYNFYLWJR-UHFFFAOYSA-N
XLogP6.70
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

N-[4-[(4-benzoylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16611293
N-[4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8907868
[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-methylbenzoate
CID 55313658
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl 2,3-dimethylbenzoate
CID 7968228
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 7837823
N-[4-[(4-acetylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 31980575
N-[4-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55578087
N-(3,4-dimethylphenyl)-N-[4-[(3-methyl-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 41451155
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl 2-naphthalen-2-ylsulfanylacetate
CID 31985817
N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 16768974
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790863
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(2-methyl-3-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 60518290

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 43023463) is N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is CC(=O)N(c1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is DVVUHPYNFYLWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O3S/c1-17-13-18(2)26(19(3)14-17)31(20(4)32)28-30-24(16-35-28)15-34-25-11-7-22(8-12-25)27(33)21-5-9-23(29)10-6-21/h5-14,16H,15H2,1-4H3.
What are the key properties of N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 488.58 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 43023463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).