N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide

C28H34N2O2S — CID 4106870

About N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide

N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide (PubChem CID 4106870) has the molecular formula C28H34N2O2S and a molecular weight of 462.66 g/mol. Its IUPAC name is N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide
• PubChem CID: 4106870
• Molecular Formula: C28H34N2O2S
• Molecular Weight: 462.66 g/mol
• Exact Mass: 462.23
• IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide
• SMILES: CCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)CC(C)C)cc1
• InChI: InChI=1S/C28H34N2O2S/c1-5-23-11-13-25(14-12-23)28(32)30(17-21(2)3)20-27(31)29(18-24-9-7-6-8-10-24)19-26-22(4)15-16-33-26/h6-16,21H,5,17-20H2,1-4H3
• InChIKey: MFNQFJMNNPYHIF-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.66
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide?

The IUPAC name of N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide (CID 4106870) is N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide.

What is the SMILES notation for N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide?

The canonical SMILES for N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide is CCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)CC(C)C)cc1.

What is the InChIKey of N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide?

The InChIKey is MFNQFJMNNPYHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2S/c1-5-23-11-13-25(14-12-23)28(32)30(17-21(2)3)20-27(31)29(18-24-9-7-6-8-10-24)19-26-22(4)15-16-33-26/h6-16,21H,5,17-20H2,1-4H3.

What are the key properties of N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide?

N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide has a molecular weight of 462.66 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 4106870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).