N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C17H19ClN2OS — CID 2739364

IUPACN-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCCC1c2ccsc2CCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2OS/c1-2-3-15-14-9-11-22-16(14)8-10-20(15)17(21)19-13-6-4-12(18)5-7-13/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,19,21)
InChIKeyXOKDLWBHZAUWTH-UHFFFAOYSA-N
MW334.87 g/mol
LogP5.33
Rot. Bonds3

About N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 2739364) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID2739364
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC NameN-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCCC1c2ccsc2CCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2OS/c1-2-3-15-14-9-11-22-16(14)8-10-20(15)17(21)19-13-6-4-12(18)5-7-13/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,19,21)
InChIKeyXOKDLWBHZAUWTH-UHFFFAOYSA-N
XLogP5.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.87
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 2739364) is N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CCCC1c2ccsc2CCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is XOKDLWBHZAUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-2-3-15-14-9-11-22-16(14)8-10-20(15)17(21)19-13-6-4-12(18)5-7-13/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 334.87 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 2739364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).