N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide

C16H14N2O2S — CID 44968084

IUPACN-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESCc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2S/c1-11-6-2-4-8-13(11)17-15(19)10-18-16(20)12-7-3-5-9-14(12)21-18/h2-9H,10H2,1H3,(H,17,19)
InChIKeyYUEZDXYIYLQUPF-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.01
Rot. Bonds3

About N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide

N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 44968084) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID44968084
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESCc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2S/c1-11-6-2-4-8-13(11)17-15(19)10-18-16(20)12-7-3-5-9-14(12)21-18/h2-9H,10H2,1H3,(H,17,19)
InChIKeyYUEZDXYIYLQUPF-UHFFFAOYSA-N
XLogP3.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 44968084) is N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is Cc1ccccc1NC(=O)Cn1sc2ccccc2c1=O.
What is the InChIKey of N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is YUEZDXYIYLQUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-6-2-4-8-13(11)17-15(19)10-18-16(20)12-7-3-5-9-14(12)21-18/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 44968084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).