(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide

C₁₇H₁₉NO₃S — CID 42064328

About (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide

(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 42064328) has the molecular formula C₁₇H₁₉NO₃S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
• PubChem CID: 42064328
• Molecular Formula: C₁₇H₁₉NO₃S
• Molecular Weight: 317.41 g/mol
• Exact Mass: 317.11
• IUPAC Name: (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
• SMILES: COc1ccc(O[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1
• InChI: InChI=1S/C17H19NO3S/c1-12(21-15-9-7-14(20-2)8-10-15)17(19)18-13-5-4-6-16(11-13)22-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1
• InChIKey: PKQMPSDELLRPJX-LBPRGKRZSA-N
• XLogP: 3.82
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.41
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide?

The IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide (CID 42064328) is (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide.

What is the SMILES notation for (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide?

The canonical SMILES for (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide is COc1ccc(O[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1.

What is the InChIKey of (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide?

The InChIKey is PKQMPSDELLRPJX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12(21-15-9-7-14(20-2)8-10-15)17(19)18-13-5-4-6-16(11-13)22-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1.

What are the key properties of (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide?

(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 317.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 42064328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 42064328 — identifiers, structure, computed properties (public domain)

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