2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide

C19H22N2OS — CID 2565036

IUPAC2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1CCSc2ccccc21)NCCCc1ccccc1
InChIInChI=1S/C19H22N2OS/c22-19(20-12-6-9-16-7-2-1-3-8-16)15-21-13-14-23-18-11-5-4-10-17(18)21/h1-5,7-8,10-11H,6,9,12-15H2,(H,20,22)
InChIKeyAFVMNUGQKKDZQF-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.35
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 2565036) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide
PubChem CID2565036
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1CCSc2ccccc21)NCCCc1ccccc1
InChIInChI=1S/C19H22N2OS/c22-19(20-12-6-9-16-7-2-1-3-8-16)15-21-13-14-23-18-11-5-4-10-17(18)21/h1-5,7-8,10-11H,6,9,12-15H2,(H,20,22)
InChIKeyAFVMNUGQKKDZQF-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide (CID 2565036) is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide is O=C(CN1CCSc2ccccc21)NCCCc1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is AFVMNUGQKKDZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(20-12-6-9-16-7-2-1-3-8-16)15-21-13-14-23-18-11-5-4-10-17(18)21/h1-5,7-8,10-11H,6,9,12-15H2,(H,20,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide?
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 326.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2565036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).