N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C17H20N4O2S — CID 51140105

About N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 51140105) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 51140105
• Molecular Formula: C17H20N4O2S
• Molecular Weight: 344.44 g/mol
• Exact Mass: 344.13
• IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• SMILES: CC(Sc1nnc(-c2ccccc2)o1)C(=O)NC(C)(C#N)C(C)C
• InChI: InChI=1S/C17H20N4O2S/c1-11(2)17(4,10-18)19-14(22)12(3)24-16-21-20-15(23-16)13-8-6-5-7-9-13/h5-9,11-12H,1-4H3,(H,19,22)
• InChIKey: NSKBTEQZOXRAHA-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 91.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.44
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 51140105) is N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is CC(Sc1nnc(-c2ccccc2)o1)C(=O)NC(C)(C#N)C(C)C.

What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The InChIKey is NSKBTEQZOXRAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(2)17(4,10-18)19-14(22)12(3)24-16-21-20-15(23-16)13-8-6-5-7-9-13/h5-9,11-12H,1-4H3,(H,19,22).

What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 344.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 51140105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).