2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide

C16H14N2O2S — CID 742355

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C16H14N2O2S/c1-11-6-2-3-7-12(11)17-15(19)10-21-16-18-13-8-4-5-9-14(13)20-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyNJLFVQIUXZMLMJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.87
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide (PubChem CID 742355) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
PubChem CID742355
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C16H14N2O2S/c1-11-6-2-3-7-12(11)17-15(19)10-21-16-18-13-8-4-5-9-14(13)20-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyNJLFVQIUXZMLMJ-UHFFFAOYSA-N
XLogP3.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide (CID 742355) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide?
The InChIKey is NJLFVQIUXZMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-6-2-3-7-12(11)17-15(19)10-21-16-18-13-8-4-5-9-14(13)20-16/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 742355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).