2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C26H27F3N2O4S — CID 30306829

About 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 30306829) has the molecular formula C26H27F3N2O4S and a molecular weight of 520.57 g/mol. Its IUPAC name is 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
• PubChem CID: 30306829
• Molecular Formula: C26H27F3N2O4S
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.16
• IUPAC Name: 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
• SMILES: Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cccc(C(F)(F)F)c2)cc1
• InChI: InChI=1S/C26H27F3N2O4S/c1-18(2)35-23-11-9-20(10-12-23)16-30-25(32)17-31(22-6-4-5-21(15-22)26(27,28)29)36(33,34)24-13-7-19(3)8-14-24/h4-15,18H,16-17H2,1-3H3,(H,30,32)
• InChIKey: SSZAUARMYHSGLL-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?

The IUPAC name of 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 30306829) is 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

What is the SMILES notation for 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?

The canonical SMILES for 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cccc(C(F)(F)F)c2)cc1.

What is the InChIKey of 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?

The InChIKey is SSZAUARMYHSGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O4S/c1-18(2)35-23-11-9-20(10-12-23)16-30-25(32)17-31(22-6-4-5-21(15-22)26(27,28)29)36(33,34)24-13-7-19(3)8-14-24/h4-15,18H,16-17H2,1-3H3,(H,30,32).

What are the key properties of 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?

2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 520.57 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 30306829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).