N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide

C20H24N2O2S — CID 92713164

About N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide

N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide (PubChem CID 92713164) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
• PubChem CID: 92713164
• Molecular Formula: C20H24N2O2S
• Molecular Weight: 356.49 g/mol
• Exact Mass: 356.16
• IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
• SMILES: CCOc1ccc(CNC(=O)CN2C[C@@H](C)Sc3ccccc32)cc1
• InChI: InChI=1S/C20H24N2O2S/c1-3-24-17-10-8-16(9-11-17)12-21-20(23)14-22-13-15(2)25-19-7-5-4-6-18(19)22/h4-11,15H,3,12-14H2,1-2H3,(H,21,23)/t15-/m1/s1
• InChIKey: QLXWYQJTTOTECK-OAHLLOKOSA-N
• XLogP: 3.70
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.49
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?

The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide (CID 92713164) is N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide.

What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?

The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide is CCOc1ccc(CNC(=O)CN2C[C@@H](C)Sc3ccccc32)cc1.

What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?

The InChIKey is QLXWYQJTTOTECK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-3-24-17-10-8-16(9-11-17)12-21-20(23)14-22-13-15(2)25-19-7-5-4-6-18(19)22/h4-11,15H,3,12-14H2,1-2H3,(H,21,23)/t15-/m1/s1.

What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?

N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide has a molecular weight of 356.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide is sourced from PubChem (CID 92713164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).