4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide

C26H23N3O3S — CID 53116683

IUPAC4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(SC)cc4)cc3)cn2)cc1
InChIInChI=1S/C26H23N3O3S/c1-31-22-9-11-23(12-10-22)32-26-28-16-21(17-29-26)19-5-7-20(8-6-19)25(30)27-15-18-3-13-24(33-2)14-4-18/h3-14,16-17H,15H2,1-2H3,(H,27,30)
InChIKeyWVODGKHSUFFUHH-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.60
Rot. Bonds8

About 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide

4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 53116683) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID53116683
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(SC)cc4)cc3)cn2)cc1
InChIInChI=1S/C26H23N3O3S/c1-31-22-9-11-23(12-10-22)32-26-28-16-21(17-29-26)19-5-7-20(8-6-19)25(30)27-15-18-3-13-24(33-2)14-4-18/h3-14,16-17H,15H2,1-2H3,(H,27,30)
InChIKeyWVODGKHSUFFUHH-UHFFFAOYSA-N
XLogP5.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116689
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116782
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116746
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide
CID 53116686
4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119825
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 53116683) is 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide is COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(SC)cc4)cc3)cn2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is WVODGKHSUFFUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-31-22-9-11-23(12-10-22)32-26-28-16-21(17-29-26)19-5-7-20(8-6-19)25(30)27-15-18-3-13-24(33-2)14-4-18/h3-14,16-17H,15H2,1-2H3,(H,27,30).
What are the key properties of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 457.56 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 53116683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).