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

C15H22N2O2S — CID 92502222

IUPAC2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCC[C@@H]1CN(CC(=O)NCCOC)c2ccccc2S1
InChIInChI=1S/C15H22N2O2S/c1-3-12-10-17(11-15(18)16-8-9-19-2)13-6-4-5-7-14(13)20-12/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyPUBXEQZPRGTMKJ-GFCCVEGCSA-N
MW294.42 g/mol
LogP2.14
Rot. Bonds6

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

2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 92502222) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide
PubChem CID92502222
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCC[C@@H]1CN(CC(=O)NCCOC)c2ccccc2S1
InChIInChI=1S/C15H22N2O2S/c1-3-12-10-17(11-15(18)16-8-9-19-2)13-6-4-5-7-14(13)20-12/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyPUBXEQZPRGTMKJ-GFCCVEGCSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide (CID 92502222) is 2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide is CC[C@@H]1CN(CC(=O)NCCOC)c2ccccc2S1.
What is the InChIKey of 2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is PUBXEQZPRGTMKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-12-10-17(11-15(18)16-8-9-19-2)13-6-4-5-7-14(13)20-12/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide?
2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 92502222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).