2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

C24H34N2O5S — CID 133186630

About 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 133186630) has the molecular formula C24H34N2O5S and a molecular weight of 462.61 g/mol. Its IUPAC name is 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
• PubChem CID: 133186630
• Molecular Formula: C24H34N2O5S
• Molecular Weight: 462.61 g/mol
• Exact Mass: 462.22
• IUPAC Name: 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
• SMILES: CCOc1cccc(N(CC(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)c1
• InChI: InChI=1S/C24H34N2O5S/c1-8-31-20-11-9-10-19(13-20)26(32(7,28)29)15-24(27)25-18(5)22-14-21(16(2)3)23(30-6)12-17(22)4/h9-14,16,18H,8,15H2,1-7H3,(H,25,27)
• InChIKey: PIQBRRWAHCYJHV-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.61
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?

The IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (CID 133186630) is 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?

The canonical SMILES for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is CCOc1cccc(N(CC(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)c1.

What is the InChIKey of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?

The InChIKey is PIQBRRWAHCYJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5S/c1-8-31-20-11-9-10-19(13-20)26(32(7,28)29)15-24(27)25-18(5)22-14-21(16(2)3)23(30-6)12-17(22)4/h9-14,16,18H,8,15H2,1-7H3,(H,25,27).

What are the key properties of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?

2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 462.61 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 133186630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).