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

C17H18N2O2S — CID 2441315

IUPAC2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCSc2ccccc21
InChIInChI=1S/C17H18N2O2S/c1-21-15-8-4-2-6-13(15)18-17(20)12-19-10-11-22-16-9-5-3-7-14(16)19/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyVNJUDFMULMWFQE-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.25
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 2441315) 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-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID2441315
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCSc2ccccc21
InChIInChI=1S/C17H18N2O2S/c1-21-15-8-4-2-6-13(15)18-17(20)12-19-10-11-22-16-9-5-3-7-14(16)19/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyVNJUDFMULMWFQE-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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Related Compounds

2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
3-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzothiazol-2-one
CID 118713684
3-[7-[4-(2-Methoxyphenyl)piperazin-1-yl]heptyl]-1,3-benzothiazol-2-one
CID 118713688
N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 705124
N-(2-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2234469
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 2441633
2-[(3-Methoxyphenyl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810018
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 4464614
5-(2-Methoxy-phenylamino)-3-phenyl-thiazolidine-2,4-dione
CID 649284
4-(2-Methoxyphenyl)piperazinyl phenothiazin-10-yl ketone
CID 1882551
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593
N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264834

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide (CID 2441315) is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is VNJUDFMULMWFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-21-15-8-4-2-6-13(15)18-17(20)12-19-10-11-22-16-9-5-3-7-14(16)19/h2-9H,10-12H2,1H3,(H,18,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide?
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2441315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).