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

C15H22N2O3S — CID 53158858

IUPACN-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2sc(C(=O)NCCCOC)cc2C1
InChIInChI=1S/C15H22N2O3S/c1-3-14(18)17-7-5-12-11(10-17)9-13(21-12)15(19)16-6-4-8-20-2/h9H,3-8,10H2,1-2H3,(H,16,19)
InChIKeyRUSBSIKXSXPYPY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.81
Rot. Bonds6

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

N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158858) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158858
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2sc(C(=O)NCCCOC)cc2C1
InChIInChI=1S/C15H22N2O3S/c1-3-14(18)17-7-5-12-11(10-17)9-13(21-12)15(19)16-6-4-8-20-2/h9H,3-8,10H2,1-2H3,(H,16,19)
InChIKeyRUSBSIKXSXPYPY-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158858) is N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CCC(=O)N1CCc2sc(C(=O)NCCCOC)cc2C1.
What is the InChIKey of N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is RUSBSIKXSXPYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-14(18)17-7-5-12-11(10-17)9-13(21-12)15(19)16-6-4-8-20-2/h9H,3-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).