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

C17H17N3OS — CID 3276041

IUPACN-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2
InChIInChI=1S/C17H17N3OS/c1-12(21)19-17-15(9-18)14-7-8-20(11-16(14)22-17)10-13-5-3-2-4-6-13/h2-6H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyFFBNEQHODSFPFD-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.14
Rot. Bonds3

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

N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide (PubChem CID 3276041) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
PubChem CID3276041
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2
InChIInChI=1S/C17H17N3OS/c1-12(21)19-17-15(9-18)14-7-8-20(11-16(14)22-17)10-13-5-3-2-4-6-13/h2-6H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyFFBNEQHODSFPFD-UHFFFAOYSA-N
XLogP3.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide
CID 684674
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597271
N-[(3-cyano-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamothioyl]benzamide
CID 1130140
N-(3-cyano-5-methyl-4-phenylthien-2-yl)cyclohexanecarboxamide
CID 1225338
2-(benzylamino)-6-(4-fluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735966
2-Amino-4,5,6,7-tetrahydro-6-(phenylmethyl)thieno(2,3-c)pyridine-3-carbonitrile
CID 562794
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3-phenyl-acrylamide
CID 756098
N-{3-Cyano-5,5,7,7-tetramethyl-4H,6H-thieno[2,3-C]pyridin-2-YL}propanamide
CID 741871
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide
CID 741873
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide
CID 767327
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)butyramide
CID 1149334
N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(4-isopropylphenyl)acrylamide
CID 1220139

Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The IUPAC name of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide (CID 3276041) is N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The canonical SMILES for N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide is CC(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2.
What is the InChIKey of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The InChIKey is FFBNEQHODSFPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12(21)19-17-15(9-18)14-7-8-20(11-16(14)22-17)10-13-5-3-2-4-6-13/h2-6H,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 3276041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).