N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide

C₁₇H₁₆N₂O₂S — CID 46249438

About N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide (PubChem CID 46249438) has the molecular formula C₁₇H₁₆N₂O₂S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide.

Molecular Properties

• Compound Name: N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide
• PubChem CID: 46249438
• Molecular Formula: C₁₇H₁₆N₂O₂S
• Molecular Weight: 312.39 g/mol
• Exact Mass: 312.09
• IUPAC Name: N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide
• SMILES: CCn1c(=O)sc2cc(NC(=O)c3ccc(C)cc3)ccc21
• InChI: InChI=1S/C17H16N2O2S/c1-3-19-14-9-8-13(10-15(14)22-17(19)21)18-16(20)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,20)
• InChIKey: IEPJZQGKRDSDQX-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.39
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide?

The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide (CID 46249438) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide.

What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide?

The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide is CCn1c(=O)sc2cc(NC(=O)c3ccc(C)cc3)ccc21.

What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide?

The InChIKey is IEPJZQGKRDSDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-3-19-14-9-8-13(10-15(14)22-17(19)21)18-16(20)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,20).

What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide?

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide is sourced from PubChem (CID 46249438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46249438 — identifiers, structure, computed properties (public domain)

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