N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C24H24N4O2S — CID 2404532

About N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2404532) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 2404532
• Molecular Formula: C24H24N4O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.16
• IUPAC Name: N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1C
• InChI: InChI=1S/C24H24N4O2S/c1-15-9-8-12-21(17(15)3)25-22(29)14-31-24-27-26-23(30-24)20-13-16(2)28(18(20)4)19-10-6-5-7-11-19/h5-13H,14H2,1-4H3,(H,25,29)
• InChIKey: UHHKFMQDERZJFL-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2404532) is N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1C.

What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is UHHKFMQDERZJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15-9-8-12-21(17(15)3)25-22(29)14-31-24-27-26-23(30-24)20-13-16(2)28(18(20)4)19-10-6-5-7-11-19/h5-13H,14H2,1-4H3,(H,25,29).

What are the key properties of N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2404532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).