N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

C18H25N3O2S — CID 9055487

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 9055487) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
• PubChem CID: 9055487
• Molecular Formula: C18H25N3O2S
• Molecular Weight: 347.48 g/mol
• Exact Mass: 347.17
• IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
• SMILES: C[C@](C#N)(NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)C1CC1
• InChI: InChI=1S/C18H25N3O2S/c1-18(13-19,14-6-7-14)20-17(22)12-21(10-15-4-2-8-23-15)11-16-5-3-9-24-16/h3,5,9,14-15H,2,4,6-8,10-12H2,1H3,(H,20,22)/t15-,18+/m0/s1
• InChIKey: DWBFRCBMSAXVTG-MAUKXSAKSA-N
• XLogP: 2.54
• TPSA: 65.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.48
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?

The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 9055487) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.

What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?

The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is C[C@](C#N)(NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)C1CC1.

What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?

The InChIKey is DWBFRCBMSAXVTG-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-18(13-19,14-6-7-14)20-17(22)12-21(10-15-4-2-8-23-15)11-16-5-3-9-24-16/h3,5,9,14-15H,2,4,6-8,10-12H2,1H3,(H,20,22)/t15-,18+/m0/s1.

What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 347.48 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 9055487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).