2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide

C20H15N5OS2 — CID 3242698

IUPAC2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
InChIInChI=1S/C20H15N5OS2/c1-12-5-2-3-6-15(12)24-17(26)11-28-20-14(10-22)18(16-7-4-8-27-16)13(9-21)19(23)25-20/h2-8H,11H2,1H3,(H2,23,25)(H,24,26)
InChIKeyYYUSEIHFDFJHHH-UHFFFAOYSA-N
MW405.51 g/mol
LogP4.17
Rot. Bonds5

About 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide

2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 3242698) has the molecular formula C20H15N5OS2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID3242698
Molecular FormulaC20H15N5OS2
Molecular Weight405.51 g/mol
Exact Mass405.07
IUPAC Name2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
InChIInChI=1S/C20H15N5OS2/c1-12-5-2-3-6-15(12)24-17(26)11-28-20-14(10-22)18(16-7-4-8-27-16)13(9-21)19(23)25-20/h2-8H,11H2,1H3,(H2,23,25)(H,24,26)
InChIKeyYYUSEIHFDFJHHH-UHFFFAOYSA-N
XLogP4.17
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide with MolForge

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Related Compounds

2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
CID 10423637
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 3355253
2-Amino-6-[(3-methylbenzyl)sulfanyl]-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 1201836
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
2-Amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 69961639
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-N-(2-phenylethyl)acetamide
CID 660699
2-Amino-6-(butylsulfanyl)-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 660914
2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(2-methylphenyl)acetamide
CID 678367
2-{[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridinyl]sulfanyl}-N,N-diethylacetamide
CID 1773311
2-Amino-6-(2-oxo-propylsulfanyl)-4-thiophen-2-yl-pyridine-3,5-dicarbonitrile
CID 1773316

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide (CID 3242698) is 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is YYUSEIHFDFJHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS2/c1-12-5-2-3-6-15(12)24-17(26)11-28-20-14(10-22)18(16-7-4-8-27-16)13(9-21)19(23)25-20/h2-8H,11H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 405.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 3242698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).