2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C19H20N2OS2 — CID 7614119

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CSC1=Nc2ccccc2CS1
InChIInChI=1S/C19H20N2OS2/c1-14-7-3-4-8-15(14)11-21(2)18(22)13-24-19-20-17-10-6-5-9-16(17)12-23-19/h3-10H,11-13H2,1-2H3
InChIKeyBHRZUFUGDVCWKX-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.62
Rot. Bonds4

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 7614119) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID7614119
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CSC1=Nc2ccccc2CS1
InChIInChI=1S/C19H20N2OS2/c1-14-7-3-4-8-15(14)11-21(2)18(22)13-24-19-20-17-10-6-5-9-16(17)12-23-19/h3-10H,11-13H2,1-2H3
InChIKeyBHRZUFUGDVCWKX-UHFFFAOYSA-N
XLogP4.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 7614119) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)CSC1=Nc2ccccc2CS1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is BHRZUFUGDVCWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-14-7-3-4-8-15(14)11-21(2)18(22)13-24-19-20-17-10-6-5-9-16(17)12-23-19/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 356.52 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 7614119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).