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

C18H19N3O2S — CID 4578555

IUPAC2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide
SMILESO=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCC1
InChIInChI=1S/C18H19N3O2S/c22-15(21-12-6-2-1-3-7-12)10-24-18-17-16(19-11-20-18)13-8-4-5-9-14(13)23-17/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,21,22)
InChIKeyHHZHRFGRMBIIPL-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.92
Rot. Bonds4

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

2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide (PubChem CID 4578555) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide
PubChem CID4578555
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide
SMILESO=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCC1
InChIInChI=1S/C18H19N3O2S/c22-15(21-12-6-2-1-3-7-12)10-24-18-17-16(19-11-20-18)13-8-4-5-9-14(13)23-17/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,21,22)
InChIKeyHHZHRFGRMBIIPL-UHFFFAOYSA-N
XLogP3.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.92
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-cyclohexylacetamide?
The IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide (CID 4578555) is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide?
The canonical SMILES for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide is O=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCC1.
What is the InChIKey of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide?
The InChIKey is HHZHRFGRMBIIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-15(21-12-6-2-1-3-7-12)10-24-18-17-16(19-11-20-18)13-8-4-5-9-14(13)23-17/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,21,22).
What are the key properties of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide?
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-cyclohexylacetamide has a molecular weight of 341.44 g/mol, XLogP of 3.92, 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-cyclohexylacetamide is sourced from PubChem (CID 4578555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).