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

C15H16N2O2S2 — CID 53158843

IUPAC5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCc2sc(C(=O)NCc3cccs3)cc2C1
InChIInChI=1S/C15H16N2O2S2/c1-10(18)17-5-4-13-11(9-17)7-14(21-13)15(19)16-8-12-3-2-6-20-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyAZUIHAYKFILPCB-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.64
Rot. Bonds3

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

5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158843) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158843
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCc2sc(C(=O)NCc3cccs3)cc2C1
InChIInChI=1S/C15H16N2O2S2/c1-10(18)17-5-4-13-11(9-17)7-14(21-13)15(19)16-8-12-3-2-6-20-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyAZUIHAYKFILPCB-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158843) is 5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CC(=O)N1CCc2sc(C(=O)NCc3cccs3)cc2C1.
What is the InChIKey of 5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is AZUIHAYKFILPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-10(18)17-5-4-13-11(9-17)7-14(21-13)15(19)16-8-12-3-2-6-20-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,19).
What are the key properties of 5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).