2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide

C15H12N2O2S — CID 44602374

IUPAC2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)20-17/h1-9H,10H2,(H,16,18)
InChIKeyOCAUOKFPSQKCAA-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.70
Rot. Bonds3

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

2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide (PubChem CID 44602374) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide
PubChem CID44602374
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)20-17/h1-9H,10H2,(H,16,18)
InChIKeyOCAUOKFPSQKCAA-UHFFFAOYSA-N
XLogP2.70
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide (CID 44602374) is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide is O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1.
What is the InChIKey of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide?
The InChIKey is OCAUOKFPSQKCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)20-17/h1-9H,10H2,(H,16,18).
What are the key properties of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide?
2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide has a molecular weight of 284.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 44602374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).