2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide

C20H15N3O2S — CID 90654538

IUPAC2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C20H15N3O2S/c24-19(13-23-20(25)16-5-1-2-7-18(16)26-23)22-15-10-8-14(9-11-15)17-6-3-4-12-21-17/h1-12H,13H2,(H,22,24)
InChIKeyQLVAHCHYICCOMF-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.76
Rot. Bonds4

About 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide

2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 90654538) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide
PubChem CID90654538
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C20H15N3O2S/c24-19(13-23-20(25)16-5-1-2-7-18(16)26-23)22-15-10-8-14(9-11-15)17-6-3-4-12-21-17/h1-12H,13H2,(H,22,24)
InChIKeyQLVAHCHYICCOMF-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5409139
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CID 16018022
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CID 1118209
N-(4-acetylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)benzamide
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3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
3-(indolin-1-ylsulfonyl)-N-(pyridin-4-yl)benzamide
CID 24980452
N-(4-(N-mesitylsulfamoyl)phenyl)picolinamide
CID 45111050
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)picolinamide
CID 146014130
5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 155533915
N-(6-(4-benzamidophenyl)pyridin-3-yl)benzamide (28)
CID 86766305
N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide
CID 818877
4-({[(2,5-dimethylphenyl)sulfonyl]amino}methyl)-N-(2-pyridinylmethyl)benzamide
CID 984361

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide (CID 90654538) is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide is O=C(Cn1sc2ccccc2c1=O)Nc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is QLVAHCHYICCOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-19(13-23-20(25)16-5-1-2-7-18(16)26-23)22-15-10-8-14(9-11-15)17-6-3-4-12-21-17/h1-12H,13H2,(H,22,24).
What are the key properties of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 361.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 90654538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).