(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

C₂₄H₂₅N₃O₃S — CID 40783332

About (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 40783332) has the molecular formula C₂₄H₂₅N₃O₃S and a molecular weight of 435.55 g/mol. Its IUPAC name is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

• Compound Name: (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
• PubChem CID: 40783332
• Molecular Formula: C₂₄H₂₅N₃O₃S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.16
• IUPAC Name: (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
• SMILES: O=C(NC[C@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1
• InChI: InChI=1S/C24H25N3O3S/c28-22(15-21-11-6-14-31-21)27(19-8-2-1-3-9-19)23(18-7-4-12-25-16-18)24(29)26-17-20-10-5-13-30-20/h1-4,6-9,11-12,14,16,20,23H,5,10,13,15,17H2,(H,26,29)/t20-,23+/m1/s1
• InChIKey: ASXLGFHXTXKNCW-OFNKIYASSA-N
• XLogP: 3.76
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?

The IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 40783332) is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

What is the SMILES notation for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?

The canonical SMILES for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is O=C(NC[C@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1.

What is the InChIKey of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?

The InChIKey is ASXLGFHXTXKNCW-OFNKIYASSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-22(15-21-11-6-14-31-21)27(19-8-2-1-3-9-19)23(18-7-4-12-25-16-18)24(29)26-17-20-10-5-13-30-20/h1-4,6-9,11-12,14,16,20,23H,5,10,13,15,17H2,(H,26,29)/t20-,23+/m1/s1.

What are the key properties of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?

(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 435.55 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 40783332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 40783332 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.