2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide

C16H12N2O2S2 — CID 942114

IUPAC2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2s1
InChIInChI=1S/C16H12N2O2S2/c1-21-12-8-4-2-6-10(12)14(19)17-16-18-15(20)11-7-3-5-9-13(11)22-16/h2-9H,1H3,(H,17,18,19,20)
InChIKeyDCAFWBDZIBARGM-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.63
Rot. Bonds3

About 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide

2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide (PubChem CID 942114) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
PubChem CID942114
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC Name2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2s1
InChIInChI=1S/C16H12N2O2S2/c1-21-12-8-4-2-6-10(12)14(19)17-16-18-15(20)11-7-3-5-9-13(11)22-16/h2-9H,1H3,(H,17,18,19,20)
InChIKeyDCAFWBDZIBARGM-UHFFFAOYSA-N
XLogP3.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide (CID 942114) is 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide is CSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2s1.
What is the InChIKey of 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The InChIKey is DCAFWBDZIBARGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c1-21-12-8-4-2-6-10(12)14(19)17-16-18-15(20)11-7-3-5-9-13(11)22-16/h2-9H,1H3,(H,17,18,19,20).
What are the key properties of 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide is sourced from PubChem (CID 942114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).