N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide

C₂₄H₂₅NO₅S — CID 19211422

About N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide

N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 19211422) has the molecular formula C₂₄H₂₅NO₅S and a molecular weight of 439.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

• Compound Name: N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide
• PubChem CID: 19211422
• Molecular Formula: C₂₄H₂₅NO₅S
• Molecular Weight: 439.53 g/mol
• Exact Mass: 439.15
• IUPAC Name: N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide
• SMILES: CCc1ccc(N(C(=O)c2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C24H25NO5S/c1-5-18-8-10-20(11-9-18)25(31(27,28)23-12-6-17(2)7-13-23)24(26)19-14-21(29-3)16-22(15-19)30-4/h6-16H,5H2,1-4H3
• InChIKey: DPYNRJCSPIXZHT-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 72.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.53
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide?

The IUPAC name of N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide (CID 19211422) is N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide.

What is the SMILES notation for N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide?

The canonical SMILES for N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide is CCc1ccc(N(C(=O)c2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1.

What is the InChIKey of N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide?

The InChIKey is DPYNRJCSPIXZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c1-5-18-8-10-20(11-9-18)25(31(27,28)23-12-6-17(2)7-13-23)24(26)19-14-21(29-3)16-22(15-19)30-4/h6-16H,5H2,1-4H3.

What are the key properties of N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide?

N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 439.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 19211422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19211422 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.