2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C20H22N2O3S — CID 3651003

IUPAC2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NCc2ccccc2OC)C1=O
InChIInChI=1S/C20H22N2O3S/c1-3-17-20(24)22(15-9-5-7-11-18(15)26-17)13-19(23)21-12-14-8-4-6-10-16(14)25-2/h4-11,17H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyUEMHRLHCRIAWQR-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.23
Rot. Bonds6

About 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 3651003) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID3651003
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NCc2ccccc2OC)C1=O
InChIInChI=1S/C20H22N2O3S/c1-3-17-20(24)22(15-9-5-7-11-18(15)26-17)13-19(23)21-12-14-8-4-6-10-16(14)25-2/h4-11,17H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyUEMHRLHCRIAWQR-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 3651003) is 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide is CCC1Sc2ccccc2N(CC(=O)NCc2ccccc2OC)C1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is UEMHRLHCRIAWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-17-20(24)22(15-9-5-7-11-18(15)26-17)13-19(23)21-12-14-8-4-6-10-16(14)25-2/h4-11,17H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3651003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).