4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide

C24H26N2O2S — CID 19228141

About 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide

4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 19228141) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

• Compound Name: 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
• PubChem CID: 19228141
• Molecular Formula: C24H26N2O2S
• Molecular Weight: 406.55 g/mol
• Exact Mass: 406.17
• IUPAC Name: 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
• SMILES: Cc1ccccc1OCCCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C24H26N2O2S/c1-17-7-2-5-10-22(17)28-14-6-11-23(27)26-24-25-21(16-29-24)20-13-12-18-8-3-4-9-19(18)15-20/h2,5,7,10,12-13,15-16H,3-4,6,8-9,11,14H2,1H3,(H,25,26,27)
• InChIKey: JPHHJCREYMXTRX-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.55
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide?

The IUPAC name of 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide (CID 19228141) is 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide.

What is the SMILES notation for 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide?

The canonical SMILES for 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide is Cc1ccccc1OCCCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

What is the InChIKey of 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide?

The InChIKey is JPHHJCREYMXTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-17-7-2-5-10-22(17)28-14-6-11-23(27)26-24-25-21(16-29-24)20-13-12-18-8-3-4-9-19(18)15-20/h2,5,7,10,12-13,15-16H,3-4,6,8-9,11,14H2,1H3,(H,25,26,27).

What are the key properties of 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide?

4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 406.55 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 19228141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).