3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide

C21H12F2N2O3S — CID 67532822

IUPAC3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H12F2N2O3S/c22-11-6-7-13(15(23)10-11)18(27)17-14-8-9-16(26)25(12-4-2-1-3-5-12)21(14)29-19(17)20(24)28/h1-10H,(H2,24,28)
InChIKeyYTMMHVQDVWQNSJ-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.66
Rot. Bonds4

About 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide

3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 67532822) has the molecular formula C21H12F2N2O3S and a molecular weight of 410.40 g/mol. Its IUPAC name is 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID67532822
Molecular FormulaC21H12F2N2O3S
Molecular Weight410.40 g/mol
Exact Mass410.05
IUPAC Name3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H12F2N2O3S/c22-11-6-7-13(15(23)10-11)18(27)17-14-8-9-16(26)25(12-4-2-1-3-5-12)21(14)29-19(17)20(24)28/h1-10H,(H2,24,28)
InChIKeyYTMMHVQDVWQNSJ-UHFFFAOYSA-N
XLogP3.66
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 67532822) is 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1C(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YTMMHVQDVWQNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2N2O3S/c22-11-6-7-13(15(23)10-11)18(27)17-14-8-9-16(26)25(12-4-2-1-3-5-12)21(14)29-19(17)20(24)28/h1-10H,(H2,24,28).
What are the key properties of 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorobenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 67532822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).