2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C26H29ClN2O3S — CID 126324563

About 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 126324563) has the molecular formula C26H29ClN2O3S and a molecular weight of 485.05 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• PubChem CID: 126324563
• Molecular Formula: C26H29ClN2O3S
• Molecular Weight: 485.05 g/mol
• Exact Mass: 484.16
• IUPAC Name: 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• SMILES: Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2cccc(Cl)c2C)cc1
• InChI: InChI=1S/C26H29ClN2O3S/c1-17(2)22-9-6-8-19(4)26(22)28-25(30)16-29(24-11-7-10-23(27)20(24)5)33(31,32)21-14-12-18(3)13-15-21/h6-15,17H,16H2,1-5H3,(H,28,30)
• InChIKey: VMHARFOGPCXENH-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.05
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 126324563) is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2cccc(Cl)c2C)cc1.

What is the InChIKey of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The InChIKey is VMHARFOGPCXENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3S/c1-17(2)22-9-6-8-19(4)26(22)28-25(30)16-29(24-11-7-10-23(27)20(24)5)33(31,32)21-14-12-18(3)13-15-21/h6-15,17H,16H2,1-5H3,(H,28,30).

What are the key properties of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 485.05 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 126324563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).