N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide

C28H34N2O5S — CID 93114798

About N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide

N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide (PubChem CID 93114798) has the molecular formula C28H34N2O5S and a molecular weight of 510.66 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide
• PubChem CID: 93114798
• Molecular Formula: C28H34N2O5S
• Molecular Weight: 510.66 g/mol
• Exact Mass: 510.22
• IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide
• SMILES: Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)C[C@@H]2CCCO2)cc1
• InChI: InChI=1S/C28H34N2O5S/c1-22-10-14-27(15-11-22)36(32,33)30(20-25-9-6-18-34-25)21-28(31)29(19-26-13-12-23(2)35-26)17-16-24-7-4-3-5-8-24/h3-5,7-8,10-15,25H,6,9,16-21H2,1-2H3/t25-/m0/s1
• InChIKey: MLAKVTBYEKUDLU-VWLOTQADSA-N
• XLogP: 4.34
• TPSA: 80.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide?

The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide (CID 93114798) is N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide?

The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)C[C@@H]2CCCO2)cc1.

What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide?

The InChIKey is MLAKVTBYEKUDLU-VWLOTQADSA-N. The full InChI is InChI=1S/C28H34N2O5S/c1-22-10-14-27(15-11-22)36(32,33)30(20-25-9-6-18-34-25)21-28(31)29(19-26-13-12-23(2)35-26)17-16-24-7-4-3-5-8-24/h3-5,7-8,10-15,25H,6,9,16-21H2,1-2H3/t25-/m0/s1.

What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide?

N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 510.66 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 93114798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).