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

C18H12FN3O2S — CID 663542

IUPAC2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide
SMILESO=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C18H12FN3O2S/c19-11-4-3-5-12(8-11)22-15(23)9-25-18-17-16(20-10-21-18)13-6-1-2-7-14(13)24-17/h1-8,10H,9H2,(H,22,23)
InChIKeyRJJVVEZXWHAYPD-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.25
Rot. Bonds4

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

2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide (PubChem CID 663542) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide
PubChem CID663542
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide
SMILESO=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C18H12FN3O2S/c19-11-4-3-5-12(8-11)22-15(23)9-25-18-17-16(20-10-21-18)13-6-1-2-7-14(13)24-17/h1-8,10H,9H2,(H,22,23)
InChIKeyRJJVVEZXWHAYPD-UHFFFAOYSA-N
XLogP4.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-2-methylbenzofuro[3,2-d]pyrimidine
CID 664279
4-((2-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine
CID 663391
4-[(4-Fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 3458131
4-[(3-Fluorobenzyl)sulfanyl]-2-methyl[1]benzofuro[3,2-d]pyrimidine
CID 3622707
N-Phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 621402
2-[(2-Phenyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetic acid
CID 646771
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide
CID 3452486
2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 3483703
N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1400652
3-fluoro-N-[(4E)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]aniline
CID 2068835
4-(Furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 4012037
2-ethyl-N-(4-fluorophenyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 24747355

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide (CID 663542) is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide is O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(F)c1.
What is the InChIKey of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide?
The InChIKey is RJJVVEZXWHAYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c19-11-4-3-5-12(8-11)22-15(23)9-25-18-17-16(20-10-21-18)13-6-1-2-7-14(13)24-17/h1-8,10H,9H2,(H,22,23).
What are the key properties of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide?
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-fluorophenyl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 4.25, 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-fluorophenyl)acetamide is sourced from PubChem (CID 663542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).