4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide

C24H28N2O3S — CID 19197128

About 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide

4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 19197128) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

• Compound Name: 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
• PubChem CID: 19197128
• Molecular Formula: C24H28N2O3S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.18
• IUPAC Name: 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
• SMILES: COc1cccc(-c2csc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1
• InChI: InChI=1S/C24H28N2O3S/c1-24(2,3)18-10-12-19(13-11-18)29-14-6-9-22(27)26-23-25-21(16-30-23)17-7-5-8-20(15-17)28-4/h5,7-8,10-13,15-16H,6,9,14H2,1-4H3,(H,25,26,27)
• InChIKey: RNSJWGYMMOKCAG-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?

The IUPAC name of 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide (CID 19197128) is 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide.

What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?

The canonical SMILES for 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide is COc1cccc(-c2csc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1.

What is the InChIKey of 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?

The InChIKey is RNSJWGYMMOKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-24(2,3)18-10-12-19(13-11-18)29-14-6-9-22(27)26-23-25-21(16-30-23)17-7-5-8-20(15-17)28-4/h5,7-8,10-13,15-16H,6,9,14H2,1-4H3,(H,25,26,27).

What are the key properties of 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?

4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 424.57 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 19197128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).