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

C21H11Cl2N3O4S — CID 27862293

IUPAC5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide
SMILESO=C(Nn1cnc2scc(-c3ccco3)c2c1=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C21H11Cl2N3O4S/c22-11-3-4-14(23)12(8-11)16-5-6-17(30-16)19(27)25-26-10-24-20-18(21(26)28)13(9-31-20)15-2-1-7-29-15/h1-10H,(H,25,27)
InChIKeyLOUVHCSISCTWMU-UHFFFAOYSA-N
MW472.31 g/mol
LogP5.67
Rot. Bonds4

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

5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide (PubChem CID 27862293) has the molecular formula C21H11Cl2N3O4S and a molecular weight of 472.31 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide
PubChem CID27862293
Molecular FormulaC21H11Cl2N3O4S
Molecular Weight472.31 g/mol
Exact Mass470.98
IUPAC Name5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide
SMILESO=C(Nn1cnc2scc(-c3ccco3)c2c1=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C21H11Cl2N3O4S/c22-11-3-4-14(23)12(8-11)16-5-6-17(30-16)19(27)25-26-10-24-20-18(21(26)28)13(9-31-20)15-2-1-7-29-15/h1-10H,(H,25,27)
InChIKeyLOUVHCSISCTWMU-UHFFFAOYSA-N
XLogP5.67
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.31
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide (CID 27862293) is 5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide is O=C(Nn1cnc2scc(-c3ccco3)c2c1=O)c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide?
The InChIKey is LOUVHCSISCTWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2N3O4S/c22-11-3-4-14(23)12(8-11)16-5-6-17(30-16)19(27)25-26-10-24-20-18(21(26)28)13(9-31-20)15-2-1-7-29-15/h1-10H,(H,25,27).
What are the key properties of 5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide?
5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide has a molecular weight of 472.31 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 27862293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).