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

C17H15ClN2O2S — CID 19164531

IUPACN-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)C1Sc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O2S/c1-10(16(21)19-12-6-4-5-11(18)9-12)15-17(22)20-13-7-2-3-8-14(13)23-15/h2-10,15H,1H3,(H,19,21)(H,20,22)
InChIKeyWAXUKUGUZLOHQZ-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.03
Rot. Bonds3

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

N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (PubChem CID 19164531) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
PubChem CID19164531
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)C1Sc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O2S/c1-10(16(21)19-12-6-4-5-11(18)9-12)15-17(22)20-13-7-2-3-8-14(13)23-15/h2-10,15H,1H3,(H,19,21)(H,20,22)
InChIKeyWAXUKUGUZLOHQZ-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7274076
(2S)-N-(2,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide
CID 2227143
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164513
N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164538
N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164529
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
CID 18807696
2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate
CID 78429784
N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 4079995
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 42970820
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (CID 19164531) is N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is CC(C(=O)Nc1cccc(Cl)c1)C1Sc2ccccc2NC1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The InChIKey is WAXUKUGUZLOHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-10(16(21)19-12-6-4-5-11(18)9-12)15-17(22)20-13-7-2-3-8-14(13)23-15/h2-10,15H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide has a molecular weight of 346.84 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is sourced from PubChem (CID 19164531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).