[4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate

C25H19FN2O4S — CID 26646011

IUPAC[4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C25H19FN2O4S/c1-31-22-8-3-2-7-21(22)24(30)27-18-9-11-20(12-10-18)32-23(29)14-19-15-33-25(28-19)16-5-4-6-17(26)13-16/h2-13,15H,14H2,1H3,(H,27,30)
InChIKeyAXOZEMFDPQAOGP-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.36
Rot. Bonds7

About [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate

[4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 26646011) has the molecular formula C25H19FN2O4S and a molecular weight of 462.50 g/mol. Its IUPAC name is [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID26646011
Molecular FormulaC25H19FN2O4S
Molecular Weight462.50 g/mol
Exact Mass462.10
IUPAC Name[4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C25H19FN2O4S/c1-31-22-8-3-2-7-21(22)24(30)27-18-9-11-20(12-10-18)32-23(29)14-19-15-33-25(28-19)16-5-4-6-17(26)13-16/h2-13,15H,14H2,1H3,(H,27,30)
InChIKeyAXOZEMFDPQAOGP-UHFFFAOYSA-N
XLogP5.36
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901848
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46635839
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
CID 7956863
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
(4-ethylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 26881766
(4-acetylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 8764004
(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 35620752
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 18565228
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate (CID 26646011) is [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate is COc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is AXOZEMFDPQAOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4S/c1-31-22-8-3-2-7-21(22)24(30)27-18-9-11-20(12-10-18)32-23(29)14-19-15-33-25(28-19)16-5-4-6-17(26)13-16/h2-13,15H,14H2,1H3,(H,27,30).
What are the key properties of [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate?
[4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 462.50 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 26646011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).