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

C16H18N2O2S2 — CID 53158889

IUPAC5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2sc(C(=O)NCc3cccs3)cc2C1
InChIInChI=1S/C16H18N2O2S2/c1-2-15(19)18-6-5-13-11(10-18)8-14(22-13)16(20)17-9-12-4-3-7-21-12/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,20)
InChIKeyQWORMMLPJYNSTP-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.03
Rot. Bonds4

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

5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158889) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158889
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2sc(C(=O)NCc3cccs3)cc2C1
InChIInChI=1S/C16H18N2O2S2/c1-2-15(19)18-6-5-13-11(10-18)8-14(22-13)16(20)17-9-12-4-3-7-21-12/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,20)
InChIKeyQWORMMLPJYNSTP-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158889) is 5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CCC(=O)N1CCc2sc(C(=O)NCc3cccs3)cc2C1.
What is the InChIKey of 5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is QWORMMLPJYNSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-2-15(19)18-6-5-13-11(10-18)8-14(22-13)16(20)17-9-12-4-3-7-21-12/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,20).
What are the key properties of 5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propanoyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).