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

C17H18N2O2S — CID 2441633

IUPAC2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCSc3ccccc32)c1
InChIInChI=1S/C17H18N2O2S/c1-21-14-6-4-5-13(11-14)18-17(20)12-19-9-10-22-16-8-3-2-7-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyHVHOTHLPAHEDTO-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.25
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 2441633) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID2441633
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCSc3ccccc32)c1
InChIInChI=1S/C17H18N2O2S/c1-21-14-6-4-5-13(11-14)18-17(20)12-19-9-10-22-16-8-3-2-7-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyHVHOTHLPAHEDTO-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide (CID 2441633) is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCSc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is HVHOTHLPAHEDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-21-14-6-4-5-13(11-14)18-17(20)12-19-9-10-22-16-8-3-2-7-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,18,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide?
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2441633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).