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

C20H22N2O3S — CID 53158892

IUPAC5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H22N2O3S/c23-19(21-12-16-7-4-10-25-16)18-11-15-13-22(9-8-17(15)26-18)20(24)14-5-2-1-3-6-14/h1-3,5-6,11,16H,4,7-10,12-13H2,(H,21,23)
InChIKeySWAOSTJNKXLUTL-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.86
Rot. Bonds4

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

5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158892) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158892
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H22N2O3S/c23-19(21-12-16-7-4-10-25-16)18-11-15-13-22(9-8-17(15)26-18)20(24)14-5-2-1-3-6-14/h1-3,5-6,11,16H,4,7-10,12-13H2,(H,21,23)
InChIKeySWAOSTJNKXLUTL-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158892) is 5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is O=C(NCC1CCCO1)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is SWAOSTJNKXLUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-19(21-12-16-7-4-10-25-16)18-11-15-13-22(9-8-17(15)26-18)20(24)14-5-2-1-3-6-14/h1-3,5-6,11,16H,4,7-10,12-13H2,(H,21,23).
What are the key properties of 5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).