2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide

C19H15N3O2S — CID 3452486

IUPAC2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C19H15N3O2S/c1-12-5-4-6-13(9-12)22-16(23)10-25-19-18-17(20-11-21-19)14-7-2-3-8-15(14)24-18/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyBVYKEWNTVXGSHF-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.42
Rot. Bonds4

About 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide

2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide (PubChem CID 3452486) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide
PubChem CID3452486
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C19H15N3O2S/c1-12-5-4-6-13(9-12)22-16(23)10-25-19-18-17(20-11-21-19)14-7-2-3-8-15(14)24-18/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyBVYKEWNTVXGSHF-UHFFFAOYSA-N
XLogP4.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide (CID 3452486) is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1.
What is the InChIKey of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide?
The InChIKey is BVYKEWNTVXGSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-5-4-6-13(9-12)22-16(23)10-25-19-18-17(20-11-21-19)14-7-2-3-8-15(14)24-18/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide?
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3452486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).