N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide

C29H30N2O5S — CID 4168246

About N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide

N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide (PubChem CID 4168246) has the molecular formula C29H30N2O5S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
• PubChem CID: 4168246
• Molecular Formula: C29H30N2O5S
• Molecular Weight: 518.64 g/mol
• Exact Mass: 518.19
• IUPAC Name: N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
• SMILES: COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Cc1cccs1
• InChI: InChI=1S/C29H30N2O5S/c1-21-10-11-26-25(15-21)29(34)23(20-36-26)18-31(17-22-7-4-3-5-8-22)28(33)19-30(12-13-35-2)27(32)16-24-9-6-14-37-24/h3-11,14-15,20H,12-13,16-19H2,1-2H3
• InChIKey: ASMFYPOBDGFUJG-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 80.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.64
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide?

The IUPAC name of N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide (CID 4168246) is N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide is COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Cc1cccs1.

What is the InChIKey of N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide?

The InChIKey is ASMFYPOBDGFUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5S/c1-21-10-11-26-25(15-21)29(34)23(20-36-26)18-31(17-22-7-4-3-5-8-22)28(33)19-30(12-13-35-2)27(32)16-24-9-6-14-37-24/h3-11,14-15,20H,12-13,16-19H2,1-2H3.

What are the key properties of N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide?

N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide has a molecular weight of 518.64 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4168246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).