2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C16H16N2O3S — CID 645769

IUPAC2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)CO2
InChIInChI=1S/C16H16N2O3S/c1-11-4-5-14-13(7-11)18(16(20)10-21-14)9-15(19)17-8-12-3-2-6-22-12/h2-7H,8-10H2,1H3,(H,17,19)
InChIKeyWJOTUXUPLYODQI-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.10
Rot. Bonds4

About 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 645769) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID645769
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)CO2
InChIInChI=1S/C16H16N2O3S/c1-11-4-5-14-13(7-11)18(16(20)10-21-14)9-15(19)17-8-12-3-2-6-22-12/h2-7H,8-10H2,1H3,(H,17,19)
InChIKeyWJOTUXUPLYODQI-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide 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-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 645769) is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)CO2.
What is the InChIKey of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WJOTUXUPLYODQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-4-5-14-13(7-11)18(16(20)10-21-14)9-15(19)17-8-12-3-2-6-22-12/h2-7H,8-10H2,1H3,(H,17,19).
What are the key properties of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 645769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).