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

C18H18N2O2S — CID 4786256

IUPACN-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCSc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2S/c1-13(21)14-6-8-15(9-7-14)19-18(22)12-20-10-11-23-17-5-3-2-4-16(17)20/h2-9H,10-12H2,1H3,(H,19,22)
InChIKeyGVSJODAJBBQZHW-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.44
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (PubChem CID 4786256) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
PubChem CID4786256
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCSc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2S/c1-13(21)14-6-8-15(9-7-14)19-18(22)12-20-10-11-23-17-5-3-2-4-16(17)20/h2-9H,10-12H2,1H3,(H,19,22)
InChIKeyGVSJODAJBBQZHW-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (CID 4786256) is N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is CC(=O)c1ccc(NC(=O)CN2CCSc3ccccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is GVSJODAJBBQZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13(21)14-6-8-15(9-7-14)19-18(22)12-20-10-11-23-17-5-3-2-4-16(17)20/h2-9H,10-12H2,1H3,(H,19,22).
What are the key properties of N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 4786256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).