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

C20H20N2O2S — CID 4779894

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NC1CCCc2ccccc21
InChIInChI=1S/C20H20N2O2S/c23-19(21-15-10-5-7-13-6-1-2-8-14(13)15)12-18-20(24)22-16-9-3-4-11-17(16)25-18/h1-4,6,8-9,11,15,18H,5,7,10,12H2,(H,21,23)(H,22,24)
InChIKeyUVNDUSRIFSFFTC-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.68
Rot. Bonds3

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

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4779894) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4779894
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NC1CCCc2ccccc21
InChIInChI=1S/C20H20N2O2S/c23-19(21-15-10-5-7-13-6-1-2-8-14(13)15)12-18-20(24)22-16-9-3-4-11-17(16)25-18/h1-4,6,8-9,11,15,18H,5,7,10,12H2,(H,21,23)(H,22,24)
InChIKeyUVNDUSRIFSFFTC-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26002421
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55622441
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98303899
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329319
N-[(1R,2S)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329320
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide
CID 7775150
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 29412229
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4779894) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is UVNDUSRIFSFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-19(21-15-10-5-7-13-6-1-2-8-14(13)15)12-18-20(24)22-16-9-3-4-11-17(16)25-18/h1-4,6,8-9,11,15,18H,5,7,10,12H2,(H,21,23)(H,22,24).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.68, 3 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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4779894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).