N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C20H19N3O3S2 — CID 48866094

About N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 48866094) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• PubChem CID: 48866094
• Molecular Formula: C20H19N3O3S2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.09
• IUPAC Name: N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• SMILES: Cc1ccc(CN(Cc2ccco2)C(=O)CCc2nnc(-c3ccsc3)o2)s1
• InChI: InChI=1S/C20H19N3O3S2/c1-14-4-5-17(28-14)12-23(11-16-3-2-9-25-16)19(24)7-6-18-21-22-20(26-18)15-8-10-27-13-15/h2-5,8-10,13H,6-7,11-12H2,1H3
• InChIKey: CEEZLBGKNZXIEN-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 72.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The IUPAC name of N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 48866094) is N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The canonical SMILES for N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is Cc1ccc(CN(Cc2ccco2)C(=O)CCc2nnc(-c3ccsc3)o2)s1.

What is the InChIKey of N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The InChIKey is CEEZLBGKNZXIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-14-4-5-17(28-14)12-23(11-16-3-2-9-25-16)19(24)7-6-18-21-22-20(26-18)15-8-10-27-13-15/h2-5,8-10,13H,6-7,11-12H2,1H3.

What are the key properties of N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 413.52 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 48866094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).