2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide

C18H13N3O3S — CID 24513395

IUPAC2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C18H13N3O3S/c1-11-13(7-8-24-11)16(22)20-21-10-19-17-15(18(21)23)14(9-25-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,22)
InChIKeyPHGLRCUWMWGDON-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.41
Rot. Bonds3

About 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide

2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide (PubChem CID 24513395) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide
PubChem CID24513395
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C18H13N3O3S/c1-11-13(7-8-24-11)16(22)20-21-10-19-17-15(18(21)23)14(9-25-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,22)
InChIKeyPHGLRCUWMWGDON-UHFFFAOYSA-N
XLogP3.41
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide (CID 24513395) is 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide is Cc1occc1C(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide?
The InChIKey is PHGLRCUWMWGDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-11-13(7-8-24-11)16(22)20-21-10-19-17-15(18(21)23)14(9-25-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,22).
What are the key properties of 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide?
2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide is sourced from PubChem (CID 24513395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).