2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide

C19H23ClN2O3S — CID 124962637

About 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide

2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide (PubChem CID 124962637) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide
• PubChem CID: 124962637
• Molecular Formula: C19H23ClN2O3S
• Molecular Weight: 394.92 g/mol
• Exact Mass: 394.11
• IUPAC Name: 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide
• SMILES: Cc1ccsc1CN1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1
• InChI: InChI=1S/C19H23ClN2O3S/c1-14-5-8-26-17(14)11-22-6-7-25-19(12-22,10-18(21)23)13-24-16-4-2-3-15(20)9-16/h2-5,8-9H,6-7,10-13H2,1H3,(H2,21,23)/t19-/m0/s1
• InChIKey: HKIGKBGOMBINFE-IBGZPJMESA-N
• XLogP: 3.24
• TPSA: 64.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.92
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide?

The IUPAC name of 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide (CID 124962637) is 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide.

What is the SMILES notation for 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide?

The canonical SMILES for 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide is Cc1ccsc1CN1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1.

What is the InChIKey of 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide?

The InChIKey is HKIGKBGOMBINFE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-5-8-26-17(14)11-22-6-7-25-19(12-22,10-18(21)23)13-24-16-4-2-3-15(20)9-16/h2-5,8-9H,6-7,10-13H2,1H3,(H2,21,23)/t19-/m0/s1.

What are the key properties of 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide?

2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 124962637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).