N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide

C24H28N4O3S — CID 55919488

About N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide

N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide (PubChem CID 55919488) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
• PubChem CID: 55919488
• Molecular Formula: C24H28N4O3S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.19
• IUPAC Name: N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
• SMILES: CN(C(=O)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1)C1CCCCC1
• InChI: InChI=1S/C24H28N4O3S/c1-28(19-7-3-2-4-8-19)24(30)17-12-14-18(15-13-17)25-21(29)10-5-11-22-26-23(27-31-22)20-9-6-16-32-20/h6,9,12-16,19H,2-5,7-8,10-11H2,1H3,(H,25,29)
• InChIKey: XRPFMUDSVCJQRU-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?

The IUPAC name of N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide (CID 55919488) is N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide.

What is the SMILES notation for N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?

The canonical SMILES for N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide is CN(C(=O)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?

The InChIKey is XRPFMUDSVCJQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-28(19-7-3-2-4-8-19)24(30)17-12-14-18(15-13-17)25-21(29)10-5-11-22-26-23(27-31-22)20-9-6-16-32-20/h6,9,12-16,19H,2-5,7-8,10-11H2,1H3,(H,25,29).

What are the key properties of N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?

N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide has a molecular weight of 452.58 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide is sourced from PubChem (CID 55919488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).