3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide

C24H33N5O7S2 — CID 135996502

About 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide

3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide (PubChem CID 135996502) has the molecular formula C24H33N5O7S2 and a molecular weight of 567.69 g/mol. Its IUPAC name is 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide
• PubChem CID: 135996502
• Molecular Formula: C24H33N5O7S2
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.18
• IUPAC Name: 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide
• SMILES: Cc1cc([C@H](/N=C2\NS(=O)(=O)C(C(=O)N(C)C)=C2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C
• InChI: InChI=1S/C24H33N5O7S2/c1-13(2)19(17-12-14(3)15(4)36-17)26-23-20(22(24(31)28(5)6)37(32,33)27-23)25-16-10-9-11-18(21(16)30)38(34,35)29(7)8/h9-13,19,25,30H,1-8H3,(H,26,27)/t19-/m1/s1
• InChIKey: ZCZVMZRDKLDOIX-LJQANCHMSA-N
• XLogP: 2.29
• TPSA: 161.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide?

The IUPAC name of 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide (CID 135996502) is 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide.

What is the SMILES notation for 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide?

The canonical SMILES for 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide is Cc1cc([C@H](/N=C2\NS(=O)(=O)C(C(=O)N(C)C)=C2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C.

What is the InChIKey of 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide?

The InChIKey is ZCZVMZRDKLDOIX-LJQANCHMSA-N. The full InChI is InChI=1S/C24H33N5O7S2/c1-13(2)19(17-12-14(3)15(4)36-17)26-23-20(22(24(31)28(5)6)37(32,33)27-23)25-16-10-9-11-18(21(16)30)38(34,35)29(7)8/h9-13,19,25,30H,1-8H3,(H,26,27)/t19-/m1/s1.

What are the key properties of 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide?

3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide has a molecular weight of 567.69 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 135996502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).