2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide

C19H28N6O6S2 — CID 170445813

About 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide

2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide (PubChem CID 170445813) has the molecular formula C19H28N6O6S2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 170445813
• Molecular Formula: C19H28N6O6S2
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.15
• IUPAC Name: 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1ccc(C)c(Nc2nc(C(=O)NS(=O)(=O)N3CCCN(S(=O)(=O)N(C)C)CC3)co2)c1
• InChI: InChI=1S/C19H28N6O6S2/c1-14-6-7-15(2)16(12-14)20-19-21-17(13-31-19)18(26)22-32(27,28)24-8-5-9-25(11-10-24)33(29,30)23(3)4/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,21)(H,22,26)
• InChIKey: JORPJHDPAYUNBY-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 145.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide (CID 170445813) is 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide is Cc1ccc(C)c(Nc2nc(C(=O)NS(=O)(=O)N3CCCN(S(=O)(=O)N(C)C)CC3)co2)c1.

What is the InChIKey of 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide?

The InChIKey is JORPJHDPAYUNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O6S2/c1-14-6-7-15(2)16(12-14)20-19-21-17(13-31-19)18(26)22-32(27,28)24-8-5-9-25(11-10-24)33(29,30)23(3)4/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,21)(H,22,26).

What are the key properties of 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide?

2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170445813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).