N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide

C18H18N2O2S — CID 110746285

IUPACN-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide
SMILESCC1CSc2ccccc2N1C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-13-12-23-16-10-6-5-9-15(16)20(13)17(21)11-19-18(22)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,22)
InChIKeyBRPMQSPOIFRPIH-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.94
Rot. Bonds3

About N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide

N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide (PubChem CID 110746285) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide
PubChem CID110746285
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide
SMILESCC1CSc2ccccc2N1C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-13-12-23-16-10-6-5-9-15(16)20(13)17(21)11-19-18(22)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,22)
InChIKeyBRPMQSPOIFRPIH-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001078
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 110757185
N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110741126
3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
2-(3,4-dimethoxyphenyl)-1-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110746276
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 110698086
2-(6-fluoro-1H-indol-3-yl)-1-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 95974075
N-[2-(4-methyl-3-oxo-2H-quinoxalin-1-yl)-2-oxoethyl]benzamide
CID 110669518
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 10669985
(5-chloropyrimidin-4-yl)-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
CID 124610868

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide (CID 110746285) is N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide is CC1CSc2ccccc2N1C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide?
The InChIKey is BRPMQSPOIFRPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-12-23-16-10-6-5-9-15(16)20(13)17(21)11-19-18(22)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide?
N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide has a molecular weight of 326.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 110746285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).