3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

C18H18N2O3S — CID 35875429

IUPAC3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C18H18N2O3S/c1-23-15-5-3-2-4-12(15)6-9-17(21)19-13-7-8-16-14(10-13)20-18(22)11-24-16/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyPGONFJIDAGHBJO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.31
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (PubChem CID 35875429) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
PubChem CID35875429
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C18H18N2O3S/c1-23-15-5-3-2-4-12(15)6-9-17(21)19-13-7-8-16-14(10-13)20-18(22)11-24-16/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyPGONFJIDAGHBJO-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26778059
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
CID 37015324
3-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 39641384
3-(3,5-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 134048745
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 35874973
3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 38723282
3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 106111669
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (CID 35875429) is 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is COc1ccccc1CCC(=O)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The InChIKey is PGONFJIDAGHBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-23-15-5-3-2-4-12(15)6-9-17(21)19-13-7-8-16-14(10-13)20-18(22)11-24-16/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is sourced from PubChem (CID 35875429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).