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

C20H17N3O5S — CID 55756462

IUPAC5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nn2c(C)nc3sccc3c2=O)o1
InChIInChI=1S/C20H17N3O5S/c1-12-21-19-14(9-10-29-19)20(25)23(12)22-18(24)17-8-7-13(28-17)11-27-16-6-4-3-5-15(16)26-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyXIPFTHUNTXVFMS-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.33
Rot. Bonds6

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

5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide (PubChem CID 55756462) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
PubChem CID55756462
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nn2c(C)nc3sccc3c2=O)o1
InChIInChI=1S/C20H17N3O5S/c1-12-21-19-14(9-10-29-19)20(25)23(12)22-18(24)17-8-7-13(28-17)11-27-16-6-4-3-5-15(16)26-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyXIPFTHUNTXVFMS-UHFFFAOYSA-N
XLogP3.33
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide (CID 55756462) is 5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)Nn2c(C)nc3sccc3c2=O)o1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide?
The InChIKey is XIPFTHUNTXVFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-12-21-19-14(9-10-29-19)20(25)23(12)22-18(24)17-8-7-13(28-17)11-27-16-6-4-3-5-15(16)26-2/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 55756462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).