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

C20H21N3O2S — CID 7596958

IUPACN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(C)cc3C)c2C#N)C1
InChIInChI=1S/C20H21N3O2S/c1-12-4-5-15(13(2)8-12)9-19(25)22-20-17(10-21)16-6-7-23(14(3)24)11-18(16)26-20/h4-5,8H,6-7,9,11H2,1-3H3,(H,22,25)
InChIKeyVOXRZYOTJBTQCC-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.32
Rot. Bonds3

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

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide (PubChem CID 7596958) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide
PubChem CID7596958
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(C)cc3C)c2C#N)C1
InChIInChI=1S/C20H21N3O2S/c1-12-4-5-15(13(2)8-12)9-19(25)22-20-17(10-21)16-6-7-23(14(3)24)11-18(16)26-20/h4-5,8H,6-7,9,11H2,1-3H3,(H,22,25)
InChIKeyVOXRZYOTJBTQCC-UHFFFAOYSA-N
XLogP3.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.32
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-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide (CID 7596958) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide is CC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(C)cc3C)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-(2,4-dimethylphenyl)acetamide?
The InChIKey is VOXRZYOTJBTQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12-4-5-15(13(2)8-12)9-19(25)22-20-17(10-21)16-6-7-23(14(3)24)11-18(16)26-20/h4-5,8H,6-7,9,11H2,1-3H3,(H,22,25).
What are the key properties of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide?
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.32, 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-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 7596958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).