5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C15H22N2O2S — CID 53158802

IUPAC5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2c(s1)CCN(C(C)=O)C2
InChIInChI=1S/C15H22N2O2S/c1-4-5-7-16(3)15(19)14-9-12-10-17(11(2)18)8-6-13(12)20-14/h9H,4-8,10H2,1-3H3
InChIKeyHBYQFHXCRGFSNR-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.52
Rot. Bonds4

About 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158802) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158802
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2c(s1)CCN(C(C)=O)C2
InChIInChI=1S/C15H22N2O2S/c1-4-5-7-16(3)15(19)14-9-12-10-17(11(2)18)8-6-13(12)20-14/h9H,4-8,10H2,1-3H3
InChIKeyHBYQFHXCRGFSNR-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158802) is 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CCCCN(C)C(=O)c1cc2c(s1)CCN(C(C)=O)C2.
What is the InChIKey of 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is HBYQFHXCRGFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-5-7-16(3)15(19)14-9-12-10-17(11(2)18)8-6-13(12)20-14/h9H,4-8,10H2,1-3H3.
What are the key properties of 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-butyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).