(2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide

C23H21N3O3S — CID 9406673

About (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide

(2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide (PubChem CID 9406673) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
• PubChem CID: 9406673
• Molecular Formula: C23H21N3O3S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.13
• IUPAC Name: (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
• SMILES: CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4ccccc4c3)o2)cc1
• InChI: InChI=1S/C23H21N3O3S/c1-3-28-20-12-9-17(10-13-20)22-25-26-23(29-22)30-15(2)21(27)24-19-11-8-16-6-4-5-7-18(16)14-19/h4-15H,3H2,1-2H3,(H,24,27)/t15-/m1/s1
• InChIKey: QXMWCARVLDRPRK-OAHLLOKOSA-N
• XLogP: 5.41
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide?

The IUPAC name of (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide (CID 9406673) is (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide.

What is the SMILES notation for (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide?

The canonical SMILES for (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide is CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4ccccc4c3)o2)cc1.

What is the InChIKey of (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide?

The InChIKey is QXMWCARVLDRPRK-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-3-28-20-12-9-17(10-13-20)22-25-26-23(29-22)30-15(2)21(27)24-19-11-8-16-6-4-5-7-18(16)14-19/h4-15H,3H2,1-2H3,(H,24,27)/t15-/m1/s1.

What are the key properties of (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide?

(2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide has a molecular weight of 419.51 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 9406673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).