N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide

C19H20N2O2S — CID 51199440

IUPACN-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C19H20N2O2S/c1-14(15-8-4-3-5-9-15)20(2)18(22)12-21-16-10-6-7-11-17(16)24-13-19(21)23/h3-11,14H,12-13H2,1-2H3
InChIKeyWDFBCQWPPXFYMK-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.34
Rot. Bonds4

About N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide

N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide (PubChem CID 51199440) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide
PubChem CID51199440
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C19H20N2O2S/c1-14(15-8-4-3-5-9-15)20(2)18(22)12-21-16-10-6-7-11-17(16)24-13-19(21)23/h3-11,14H,12-13H2,1-2H3
InChIKeyWDFBCQWPPXFYMK-UHFFFAOYSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide (CID 51199440) is N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is WDFBCQWPPXFYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14(15-8-4-3-5-9-15)20(2)18(22)12-21-16-10-6-7-11-17(16)24-13-19(21)23/h3-11,14H,12-13H2,1-2H3.
What are the key properties of N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide?
N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 51199440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).