N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C24H24N4O2S — CID 55622441

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C24H24N4O2S/c29-23(13-22-24(30)27-19-9-4-5-12-21(19)31-22)26-18-10-6-11-20-17(18)14-25-28(20)15-16-7-2-1-3-8-16/h1-5,7-9,12,14,18,22H,6,10-11,13,15H2,(H,26,29)(H,27,30)
InChIKeyHXVPMNYMCOCGDE-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.93
Rot. Bonds5

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 55622441) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID55622441
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C24H24N4O2S/c29-23(13-22-24(30)27-19-9-4-5-12-21(19)31-22)26-18-10-6-11-20-17(18)14-25-28(20)15-16-7-2-1-3-8-16/h1-5,7-9,12,14,18,22H,6,10-11,13,15H2,(H,26,29)(H,27,30)
InChIKeyHXVPMNYMCOCGDE-UHFFFAOYSA-N
XLogP3.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-pyridinylthio)acetamide
CID 24790569
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
CID 46943537
N-(2-naphthalen-1-yl-4,5,6,7-tetrahydroindazol-5-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 11948361
N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519593
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(2-pyridinylthio)acetamide
CID 45180281
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 16326782
2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16613852
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 24504154
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 25718021
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 25718022
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
CID 42288086
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
CID 42288087

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 55622441) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)NC1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is HXVPMNYMCOCGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-23(13-22-24(30)27-19-9-4-5-12-21(19)31-22)26-18-10-6-11-20-17(18)14-25-28(20)15-16-7-2-1-3-8-16/h1-5,7-9,12,14,18,22H,6,10-11,13,15H2,(H,26,29)(H,27,30).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 55622441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).