N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide

C19H20N2O2S — CID 2496717

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C19H20N2O2S/c1-12(2)14-9-6-7-13(3)18(14)20-17(22)11-21-19(23)15-8-4-5-10-16(15)24-21/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyGLUYFTXXPDBEQO-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.13
Rot. Bonds4

About N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 2496717) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID2496717
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C19H20N2O2S/c1-12(2)14-9-6-7-13(3)18(14)20-17(22)11-21-19(23)15-8-4-5-10-16(15)24-21/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyGLUYFTXXPDBEQO-UHFFFAOYSA-N
XLogP4.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 44968084
N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 52900723
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31202356
2-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 91829375
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8930637
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-oxofuro[3,2-c]pyridin-5-yl)acetamide
CID 126770468
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 110686764
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 82031682
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 2496717) is N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is Cc1cccc(C(C)C)c1NC(=O)Cn1sc2ccccc2c1=O.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is GLUYFTXXPDBEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12(2)14-9-6-7-13(3)18(14)20-17(22)11-21-19(23)15-8-4-5-10-16(15)24-21/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2496717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).