N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide

C22H15FN4OS2 — CID 1005162

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C22H15FN4OS2/c23-15-7-4-13(5-8-15)18-9-6-14(10-24)21(26-18)29-12-20(28)27-22-17(11-25)16-2-1-3-19(16)30-22/h4-9H,1-3,12H2,(H,27,28)
InChIKeyCXXVUCMTJLITRN-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.91
Rot. Bonds5

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 1005162) has the molecular formula C22H15FN4OS2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID1005162
Molecular FormulaC22H15FN4OS2
Molecular Weight434.52 g/mol
Exact Mass434.07
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C22H15FN4OS2/c23-15-7-4-13(5-8-15)18-9-6-14(10-24)21(26-18)29-12-20(28)27-22-17(11-25)16-2-1-3-19(16)30-22/h4-9H,1-3,12H2,(H,27,28)
InChIKeyCXXVUCMTJLITRN-UHFFFAOYSA-N
XLogP4.91
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
N-(4-CL-PH)-2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)acetamide
CID 1115824
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
CID 660521
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
CID 660795
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-N-propan-2-ylacetamide
CID 1002423
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 1005145
2-(3-Cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1,6]naphthyridin-2-ylsulfanyl)-N-(3-fluoro-phenyl)-acetamide
CID 1086274
N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 1140856
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1238361
2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1270666

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide (CID 1005162) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide is N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is CXXVUCMTJLITRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4OS2/c23-15-7-4-13(5-8-15)18-9-6-14(10-24)21(26-18)29-12-20(28)27-22-17(11-25)16-2-1-3-19(16)30-22/h4-9H,1-3,12H2,(H,27,28).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 1005162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).