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

C18H16FN3O4S2 — CID 16799559

IUPACN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C#N)C1
InChIInChI=1S/C18H16FN3O4S2/c1-11(23)22-7-6-14-15(8-20)18(27-16(14)9-22)21-17(24)10-28(25,26)13-4-2-12(19)3-5-13/h2-5H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyJCTVREZSGBDFSG-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.08
Rot. Bonds4

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

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 16799559) has the molecular formula C18H16FN3O4S2 and a molecular weight of 421.48 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)sulfonylacetamide.

Molecular Properties

Compound NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID16799559
Molecular FormulaC18H16FN3O4S2
Molecular Weight421.48 g/mol
Exact Mass421.06
IUPAC NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C#N)C1
InChIInChI=1S/C18H16FN3O4S2/c1-11(23)22-7-6-14-15(8-20)18(27-16(14)9-22)21-17(24)10-28(25,26)13-4-2-12(19)3-5-13/h2-5H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyJCTVREZSGBDFSG-UHFFFAOYSA-N
XLogP2.08
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)sulfonylacetamide?
The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)sulfonylacetamide (CID 16799559) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)sulfonylacetamide.
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)sulfonylacetamide?
The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)sulfonylacetamide is CC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(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)sulfonylacetamide?
The InChIKey is JCTVREZSGBDFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S2/c1-11(23)22-7-6-14-15(8-20)18(27-16(14)9-22)21-17(24)10-28(25,26)13-4-2-12(19)3-5-13/h2-5H,6-7,9-10H2,1H3,(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)sulfonylacetamide?
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 421.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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)sulfonylacetamide is sourced from PubChem (CID 16799559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).