N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide

C20H16N2O2S — CID 839576

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C20H16N2O2S/c1-13-8-9-14(20-22-16-6-2-3-7-18(16)24-20)11-17(13)21-19(23)12-15-5-4-10-25-15/h2-11H,12H2,1H3,(H,21,23)
InChIKeyCCLZZFWJTBSTCQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.05
Rot. Bonds4

About N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide (PubChem CID 839576) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide
PubChem CID839576
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C20H16N2O2S/c1-13-8-9-14(20-22-16-6-2-3-7-18(16)24-20)11-17(13)21-19(23)12-15-5-4-10-25-15/h2-11H,12H2,1H3,(H,21,23)
InChIKeyCCLZZFWJTBSTCQ-UHFFFAOYSA-N
XLogP5.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide (CID 839576) is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide is Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1cccs1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide?
The InChIKey is CCLZZFWJTBSTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-8-9-14(20-22-16-6-2-3-7-18(16)24-20)11-17(13)21-19(23)12-15-5-4-10-25-15/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide has a molecular weight of 348.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 839576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).