2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide

C25H23ClN2O3S — CID 30292063

About 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide

2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 30292063) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
• PubChem CID: 30292063
• Molecular Formula: C25H23ClN2O3S
• Molecular Weight: 466.99 g/mol
• Exact Mass: 466.11
• IUPAC Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
• SMILES: Cc1ccc(C)c(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(Cl)cc3)c3ccccc32)c1
• InChI: InChI=1S/C25H23ClN2O3S/c1-17-7-8-18(2)22(13-17)27-25(29)15-28-14-24(21-5-3-4-6-23(21)28)32(30,31)16-19-9-11-20(26)12-10-19/h3-14H,15-16H2,1-2H3,(H,27,29)
• InChIKey: WMJLMENBKAZHOO-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 68.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.99
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide?

The IUPAC name of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide (CID 30292063) is 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide.

What is the SMILES notation for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide?

The canonical SMILES for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(Cl)cc3)c3ccccc32)c1.

What is the InChIKey of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide?

The InChIKey is WMJLMENBKAZHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/c1-17-7-8-18(2)22(13-17)27-25(29)15-28-14-24(21-5-3-4-6-23(21)28)32(30,31)16-19-9-11-20(26)12-10-19/h3-14H,15-16H2,1-2H3,(H,27,29).

What are the key properties of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide?

2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 466.99 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 30292063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).