2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide

C19H15N3O2S — CID 664361

IUPAC2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H15N3O2S/c1-12-20-17-14-9-5-6-10-15(14)24-18(17)19(21-12)25-11-16(23)22-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyHYRMHNXXZWEQDP-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.42
Rot. Bonds4

About 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide

2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide (PubChem CID 664361) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide
PubChem CID664361
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H15N3O2S/c1-12-20-17-14-9-5-6-10-15(14)24-18(17)19(21-12)25-11-16(23)22-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyHYRMHNXXZWEQDP-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-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide (CID 664361) is 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide is Cc1nc(SCC(=O)Nc2ccccc2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is HYRMHNXXZWEQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-20-17-14-9-5-6-10-15(14)24-18(17)19(21-12)25-11-16(23)22-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide?
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide 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-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 664361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).