(2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C19H17ClFN3O2S — CID 7794608

About (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7794608) has the molecular formula C19H17ClFN3O2S and a molecular weight of 405.88 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 7794608
• Molecular Formula: C19H17ClFN3O2S
• Molecular Weight: 405.88 g/mol
• Exact Mass: 405.07
• IUPAC Name: (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• SMILES: Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1C
• InChI: InChI=1S/C19H17ClFN3O2S/c1-10-4-5-13(8-11(10)2)18-23-24-19(26-18)27-12(3)17(25)22-16-7-6-14(21)9-15(16)20/h4-9,12H,1-3H3,(H,22,25)/t12-/m0/s1
• InChIKey: JRVPRQIGMBBSIU-LBPRGKRZSA-N
• XLogP: 5.27
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.88
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 7794608) is (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1C.

What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The InChIKey is JRVPRQIGMBBSIU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17ClFN3O2S/c1-10-4-5-13(8-11(10)2)18-23-24-19(26-18)27-12(3)17(25)22-16-7-6-14(21)9-15(16)20/h4-9,12H,1-3H3,(H,22,25)/t12-/m0/s1.

What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

(2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 405.88 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7794608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).