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

C18H18N2O3S — CID 19164538

IUPACN-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)C1Sc2ccccc2NC1=O
InChIInChI=1S/C18H18N2O3S/c1-11(17(21)19-12-7-3-5-9-14(12)23-2)16-18(22)20-13-8-4-6-10-15(13)24-16/h3-11,16H,1-2H3,(H,19,21)(H,20,22)
InChIKeyPIIRJDGPKMDQSS-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.38
Rot. Bonds4

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

N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (PubChem CID 19164538) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
PubChem CID19164538
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)C1Sc2ccccc2NC1=O
InChIInChI=1S/C18H18N2O3S/c1-11(17(21)19-12-7-3-5-9-14(12)23-2)16-18(22)20-13-8-4-6-10-15(13)24-16/h3-11,16H,1-2H3,(H,19,21)(H,20,22)
InChIKeyPIIRJDGPKMDQSS-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7274399
(2S)-N-(2,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide
CID 2227143
N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164531
2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate
CID 78429784
N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164529
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164513
N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 4079995
(2R)-N-(2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41176183
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
CID 18807696
1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea
CID 54216008

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (CID 19164538) is N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is COc1ccccc1NC(=O)C(C)C1Sc2ccccc2NC1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The InChIKey is PIIRJDGPKMDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11(17(21)19-12-7-3-5-9-14(12)23-2)16-18(22)20-13-8-4-6-10-15(13)24-16/h3-11,16H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is sourced from PubChem (CID 19164538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).