2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C26H21FN2O4S — CID 118716731

IUPAC2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc(C(=O)c4ccc(F)cc4)cc3C)n2)cc1
InChIInChI=1S/C26H21FN2O4S/c1-16-13-19(25(31)18-3-8-20(27)9-4-18)7-12-23(16)33-14-24(30)29-26-28-22(15-34-26)17-5-10-21(32-2)11-6-17/h3-13,15H,14H2,1-2H3,(H,28,29,30)
InChIKeyJCNBYTNWSOXMEB-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.51
Rot. Bonds8

About 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 118716731) has the molecular formula C26H21FN2O4S and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID118716731
Molecular FormulaC26H21FN2O4S
Molecular Weight476.53 g/mol
Exact Mass476.12
IUPAC Name2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc(C(=O)c4ccc(F)cc4)cc3C)n2)cc1
InChIInChI=1S/C26H21FN2O4S/c1-16-13-19(25(31)18-3-8-20(27)9-4-18)7-12-23(16)33-14-24(30)29-26-28-22(15-34-26)17-5-10-21(32-2)11-6-17/h3-13,15H,14H2,1-2H3,(H,28,29,30)
InChIKeyJCNBYTNWSOXMEB-UHFFFAOYSA-N
XLogP5.51
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 668712
CID 668712
CID 694812
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CID 2464348
CID 2464348
CID 3397982
CID 3397982
CID 2469116
CID 2469116
CID 5191473
CID 5191473
CID 746084
CID 746084
CID 886954
CID 886954
CID 1297200
CID 1297200
CID 2413699
CID 2413699
CID 2471579
CID 2471579
CID 2671505
CID 2671505

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 118716731) is 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)COc3ccc(C(=O)c4ccc(F)cc4)cc3C)n2)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JCNBYTNWSOXMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O4S/c1-16-13-19(25(31)18-3-8-20(27)9-4-18)7-12-23(16)33-14-24(30)29-26-28-22(15-34-26)17-5-10-21(32-2)11-6-17/h3-13,15H,14H2,1-2H3,(H,28,29,30).
What are the key properties of 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 476.53 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)-2-methylphenoxy]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 118716731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).