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

C16H16N2O3S — CID 655269

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCc2cccs2)C1=O
InChIInChI=1S/C16H16N2O3S/c1-11-16(20)18(13-6-2-3-7-14(13)21-11)10-15(19)17-9-12-5-4-8-22-12/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyAVBBDSGNHQAWBO-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.18
Rot. Bonds4

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

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 655269) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID655269
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCc2cccs2)C1=O
InChIInChI=1S/C16H16N2O3S/c1-11-16(20)18(13-6-2-3-7-14(13)21-11)10-15(19)17-9-12-5-4-8-22-12/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyAVBBDSGNHQAWBO-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 655269) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is CC1Oc2ccccc2N(CC(=O)NCc2cccs2)C1=O.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AVBBDSGNHQAWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-16(20)18(13-6-2-3-7-14(13)21-11)10-15(19)17-9-12-5-4-8-22-12/h2-8,11H,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 655269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).