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

C14H20N2O3S — CID 53158805

IUPAC5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(s1)CCN(C(C)=O)C2
InChIInChI=1S/C14H20N2O3S/c1-10(17)16-6-4-12-11(9-16)8-13(20-12)14(18)15-5-3-7-19-2/h8H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyJMNRLULUYPZGOL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.42
Rot. Bonds5

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

5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158805) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158805
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(s1)CCN(C(C)=O)C2
InChIInChI=1S/C14H20N2O3S/c1-10(17)16-6-4-12-11(9-16)8-13(20-12)14(18)15-5-3-7-19-2/h8H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyJMNRLULUYPZGOL-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.42
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 5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158805) is 5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is COCCCNC(=O)c1cc2c(s1)CCN(C(C)=O)C2.
What is the InChIKey of 5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is JMNRLULUYPZGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(17)16-6-4-12-11(9-16)8-13(20-12)14(18)15-5-3-7-19-2/h8H,3-7,9H2,1-2H3,(H,15,18).
What are the key properties of 5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).