N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide

C21H25N3O2S — CID 70890884

IUPACN-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide
SMILESCCCC(=O)N1CCC2=C(C1)SC(NC(=O)CCc1ccccc1)C2C#N
InChIInChI=1S/C21H25N3O2S/c1-2-6-20(26)24-12-11-16-17(13-22)21(27-18(16)14-24)23-19(25)10-9-15-7-4-3-5-8-15/h3-5,7-8,17,21H,2,6,9-12,14H2,1H3,(H,23,25)
InChIKeyQNZSJVMIKAZICD-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.23
Rot. Bonds6

About N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide

N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide (PubChem CID 70890884) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide
PubChem CID70890884
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide
SMILESCCCC(=O)N1CCC2=C(C1)SC(NC(=O)CCc1ccccc1)C2C#N
InChIInChI=1S/C21H25N3O2S/c1-2-6-20(26)24-12-11-16-17(13-22)21(27-18(16)14-24)23-19(25)10-9-15-7-4-3-5-8-15/h3-5,7-8,17,21H,2,6,9-12,14H2,1H3,(H,23,25)
InChIKeyQNZSJVMIKAZICD-UHFFFAOYSA-N
XLogP3.23
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide (CID 70890884) is N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide is CCCC(=O)N1CCC2=C(C1)SC(NC(=O)CCc1ccccc1)C2C#N.
What is the InChIKey of N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide?
The InChIKey is QNZSJVMIKAZICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-2-6-20(26)24-12-11-16-17(13-22)21(27-18(16)14-24)23-19(25)10-9-15-7-4-3-5-8-15/h3-5,7-8,17,21H,2,6,9-12,14H2,1H3,(H,23,25).
What are the key properties of N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide?
N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide has a molecular weight of 383.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butanoyl-3-cyano-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 70890884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).