2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide

C18H18N2O2S — CID 2948034

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC1Sc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-12(13-7-3-2-4-8-13)19-17(21)11-16-18(22)20-14-9-5-6-10-15(14)23-16/h2-10,12,16H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLOUOZKOTGFFHFW-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.37
Rot. Bonds4

About 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide (PubChem CID 2948034) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide
PubChem CID2948034
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC1Sc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-12(13-7-3-2-4-8-13)19-17(21)11-16-18(22)20-14-9-5-6-10-15(14)23-16/h2-10,12,16H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLOUOZKOTGFFHFW-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cinanserin
CID 5475158
Cinanserin Hydrochloride
CID 6433141
6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11224758
2-phenyl-4H-1,4-benzothiazin-3-one
CID 234768
N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2802738
(3aS,4S)-4-phenyl-2,3,3a,4-tetrahydropyrrolo[2,1-c][1,4]benzothiazin-1-one
CID 10085131
(3aR,4R)-4-phenyl-2,3,3a,4-tetrahydropyrrolo[2,1-c][1,4]benzothiazin-1-one
CID 10731535
(3S)-2-[6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]hexanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 90654672
N-(2,4-Dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
CID 367690
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2460170
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
CID 2574382

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide (CID 2948034) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CC1Sc2ccccc2NC1=O)c1ccccc1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is LOUOZKOTGFFHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12(13-7-3-2-4-8-13)19-17(21)11-16-18(22)20-14-9-5-6-10-15(14)23-16/h2-10,12,16H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2948034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).