2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide

C18H15N3O3S — CID 2936872

IUPAC2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(COc1ccccc1)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C18H15N3O3S/c22-16(12-24-13-6-2-1-3-7-13)20-15-9-5-4-8-14(15)17(23)21-18-19-10-11-25-18/h1-11H,12H2,(H,20,22)(H,19,21,23)
InChIKeyIYJGZGIPGZUPCP-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.41
Rot. Bonds6

About 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide

2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2936872) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2936872
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(COc1ccccc1)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C18H15N3O3S/c22-16(12-24-13-6-2-1-3-7-13)20-15-9-5-4-8-14(15)17(23)21-18-19-10-11-25-18/h1-11H,12H2,(H,20,22)(H,19,21,23)
InChIKeyIYJGZGIPGZUPCP-UHFFFAOYSA-N
XLogP3.41
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 2936872) is 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide is O=C(COc1ccccc1)Nc1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IYJGZGIPGZUPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-16(12-24-13-6-2-1-3-7-13)20-15-9-5-4-8-14(15)17(23)21-18-19-10-11-25-18/h1-11H,12H2,(H,20,22)(H,19,21,23).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 353.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2936872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).