2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide

C13H13NO3S — CID 134892420

IUPAC2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide
SMILESCNC(=O)C1=C(c2ccccc2OC)OC=CS1
InChIInChI=1S/C13H13NO3S/c1-14-13(15)12-11(17-7-8-18-12)9-5-3-4-6-10(9)16-2/h3-8H,1-2H3,(H,14,15)
InChIKeyVRMJGGJKUTUBPW-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide

2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide (PubChem CID 134892420) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide
PubChem CID134892420
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide
SMILESCNC(=O)C1=C(c2ccccc2OC)OC=CS1
InChIInChI=1S/C13H13NO3S/c1-14-13(15)12-11(17-7-8-18-12)9-5-3-4-6-10(9)16-2/h3-8H,1-2H3,(H,14,15)
InChIKeyVRMJGGJKUTUBPW-UHFFFAOYSA-N
XLogP2.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide 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-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide (CID 134892420) is 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide is CNC(=O)C1=C(c2ccccc2OC)OC=CS1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide?
The InChIKey is VRMJGGJKUTUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-14-13(15)12-11(17-7-8-18-12)9-5-3-4-6-10(9)16-2/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide?
2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-methyl-1,4-oxathiine-3-carboxamide is sourced from PubChem (CID 134892420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).