N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C22H24N2O2S — CID 26649681

About N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 26649681) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• PubChem CID: 26649681
• Molecular Formula: C22H24N2O2S
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.16
• IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cs1
• InChI: InChI=1S/C22H24N2O2S/c1-14(2)20-10-5-7-15(3)21(20)24-22(25)17-8-6-9-19(11-17)26-12-18-13-27-16(4)23-18/h5-11,13-14H,12H2,1-4H3,(H,24,25)
• InChIKey: BMXJIODHMQWBIQ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.51
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 26649681) is N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cs1.

What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The InChIKey is BMXJIODHMQWBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-14(2)20-10-5-7-15(3)21(20)24-22(25)17-8-6-9-19(11-17)26-12-18-13-27-16(4)23-18/h5-11,13-14H,12H2,1-4H3,(H,24,25).

What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 380.51 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 26649681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).