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

C28H28N2O5S — CID 5181173

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

N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 5181173) has the molecular formula C28H28N2O5S and a molecular weight of 504.61 g/mol. Its IUPAC name is N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
• PubChem CID: 5181173
• Molecular Formula: C28H28N2O5S
• Molecular Weight: 504.61 g/mol
• Exact Mass: 504.17
• IUPAC Name: N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
• SMILES: COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)c1cccs1
• InChI: InChI=1S/C28H28N2O5S/c1-20-10-11-24-23(15-20)27(32)22(19-35-24)17-30(16-21-7-4-3-5-8-21)26(31)18-29(12-13-34-2)28(33)25-9-6-14-36-25/h3-11,14-15,19H,12-13,16-18H2,1-2H3
• InChIKey: LTEQTVOUXMMKRR-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 80.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.61
LogP ≤ 5	4.48
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)thiophene-2-carboxamide?

The IUPAC name of N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 5181173) is N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

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

The canonical SMILES for N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)c1cccs1.

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

The InChIKey is LTEQTVOUXMMKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5S/c1-20-10-11-24-23(15-20)27(32)22(19-35-24)17-30(16-21-7-4-3-5-8-21)26(31)18-29(12-13-34-2)28(33)25-9-6-14-36-25/h3-11,14-15,19H,12-13,16-18H2,1-2H3.

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

N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 504.61 g/mol, XLogP of 4.48, 10 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)thiophene-2-carboxamide is sourced from PubChem (CID 5181173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).