N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C26H26N2O2S2 — CID 35271857

About N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 35271857) has the molecular formula C26H26N2O2S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• PubChem CID: 35271857
• Molecular Formula: C26H26N2O2S2
• Molecular Weight: 462.64 g/mol
• Exact Mass: 462.14
• IUPAC Name: N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• SMILES: Cc1ccc(-c2ccc(-c3csc(NC(=O)COc4cc(C)ccc4C(C)C)n3)s2)cc1
• InChI: InChI=1S/C26H26N2O2S2/c1-16(2)20-10-7-18(4)13-22(20)30-14-25(29)28-26-27-21(15-31-26)24-12-11-23(32-24)19-8-5-17(3)6-9-19/h5-13,15-16H,14H2,1-4H3,(H,27,28,29)
• InChIKey: IXEFVHNVHBEBKF-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 35271857) is N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(-c2ccc(-c3csc(NC(=O)COc4cc(C)ccc4C(C)C)n3)s2)cc1.

What is the InChIKey of N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The InChIKey is IXEFVHNVHBEBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S2/c1-16(2)20-10-7-18(4)13-22(20)30-14-25(29)28-26-27-21(15-31-26)24-12-11-23(32-24)19-8-5-17(3)6-9-19/h5-13,15-16H,14H2,1-4H3,(H,27,28,29).

What are the key properties of N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 462.64 g/mol, XLogP of 7.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 35271857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).