2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide

C23H23N3O5S2 — CID 27375392

About 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide

2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide (PubChem CID 27375392) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

• Compound Name: 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
• PubChem CID: 27375392
• Molecular Formula: C23H23N3O5S2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.11
• IUPAC Name: 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
• SMILES: CCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)cc3)n2)cc1OC
• InChI: InChI=1S/C23H23N3O5S2/c1-5-30-18-11-8-16(14-19(18)29-4)22-24-23(31-25-22)21-20(12-13-32-21)33(27,28)26(3)17-9-6-15(2)7-10-17/h6-14H,5H2,1-4H3
• InChIKey: IOTKSMRNZPJKFT-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 94.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide?

The IUPAC name of 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide (CID 27375392) is 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide.

What is the SMILES notation for 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide?

The canonical SMILES for 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide is CCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)cc3)n2)cc1OC.

What is the InChIKey of 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide?

The InChIKey is IOTKSMRNZPJKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c1-5-30-18-11-8-16(14-19(18)29-4)22-24-23(31-25-22)21-20(12-13-32-21)33(27,28)26(3)17-9-6-15(2)7-10-17/h6-14H,5H2,1-4H3.

What are the key properties of 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide?

2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 485.59 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 27375392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).