N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide

C18H16FN3O2S — CID 7597271

IUPACN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C#N)C1
InChIInChI=1S/C18H16FN3O2S/c1-11(23)22-7-6-14-15(9-20)18(25-16(14)10-22)21-17(24)8-12-2-4-13(19)5-3-12/h2-5H,6-8,10H2,1H3,(H,21,24)
InChIKeyUANDEHJFFUWYAT-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.84
Rot. Bonds3

About N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 7597271) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID7597271
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C#N)C1
InChIInChI=1S/C18H16FN3O2S/c1-11(23)22-7-6-14-15(9-20)18(25-16(14)10-22)21-17(24)8-12-2-4-13(19)5-3-12/h2-5H,6-8,10H2,1H3,(H,21,24)
InChIKeyUANDEHJFFUWYAT-UHFFFAOYSA-N
XLogP2.84
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide (CID 7597271) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide is CC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C#N)C1.
What is the InChIKey of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is UANDEHJFFUWYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-11(23)22-7-6-14-15(9-20)18(25-16(14)10-22)21-17(24)8-12-2-4-13(19)5-3-12/h2-5H,6-8,10H2,1H3,(H,21,24).
What are the key properties of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide?
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7597271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).