N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide

C29H33N3O2S — CID 42721875

About N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide (PubChem CID 42721875) has the molecular formula C29H33N3O2S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
• PubChem CID: 42721875
• Molecular Formula: C29H33N3O2S
• Molecular Weight: 487.67 g/mol
• Exact Mass: 487.23
• IUPAC Name: N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
• SMILES: CCc1ccc(-n2c(C(C)N(CCC(C)C)C(=O)Cc3cccs3)nc3ccccc3c2=O)cc1
• InChI: InChI=1S/C29H33N3O2S/c1-5-22-12-14-23(15-13-22)32-28(30-26-11-7-6-10-25(26)29(32)34)21(4)31(17-16-20(2)3)27(33)19-24-9-8-18-35-24/h6-15,18,20-21H,5,16-17,19H2,1-4H3
• InChIKey: CUXQFFZMXIHCIT-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.67
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?

The IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide (CID 42721875) is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide is CCc1ccc(-n2c(C(C)N(CCC(C)C)C(=O)Cc3cccs3)nc3ccccc3c2=O)cc1.

What is the InChIKey of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?

The InChIKey is CUXQFFZMXIHCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2S/c1-5-22-12-14-23(15-13-22)32-28(30-26-11-7-6-10-25(26)29(32)34)21(4)31(17-16-20(2)3)27(33)19-24-9-8-18-35-24/h6-15,18,20-21H,5,16-17,19H2,1-4H3.

What are the key properties of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide has a molecular weight of 487.67 g/mol, XLogP of 6.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42721875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).