N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

C19H20F2N4O2S2 — CID 39965014

About N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 39965014) has the molecular formula C19H20F2N4O2S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• PubChem CID: 39965014
• Molecular Formula: C19H20F2N4O2S2
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.10
• IUPAC Name: N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• SMILES: CCCN(CC(=O)Nc1ccccc1SC(F)F)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C19H20F2N4O2S2/c1-2-9-25(12-17-23-24-18(27-17)15-8-5-10-28-15)11-16(26)22-13-6-3-4-7-14(13)29-19(20)21/h3-8,10,19H,2,9,11-12H2,1H3,(H,22,26)
• InChIKey: XDLLCDXIKFABIO-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?

The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 39965014) is N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?

The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CCCN(CC(=O)Nc1ccccc1SC(F)F)Cc1nnc(-c2cccs2)o1.

What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?

The InChIKey is XDLLCDXIKFABIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2S2/c1-2-9-25(12-17-23-24-18(27-17)15-8-5-10-28-15)11-16(26)22-13-6-3-4-7-14(13)29-19(20)21/h3-8,10,19H,2,9,11-12H2,1H3,(H,22,26).

What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?

N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 438.53 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 39965014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).