N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide

About N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide

N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide (PubChem CID 46011716) has the molecular formula C25H27FN2O4S2 and a molecular weight of 502.63 g/mol. Its IUPAC name is N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name	N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide
PubChem CID	46011716
Molecular Formula	C25H27FN2O4S2
Molecular Weight	502.63 g/mol
Exact Mass	502.14
IUPAC Name	N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILES	COCCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(=O)c1cccs1
InChI	InChI=1S/C25H27FN2O4S2/c1-31-13-5-11-27(25(30)23-8-4-14-33-23)16-24(29)28-12-9-22-18(10-15-34-22)20(28)17-32-21-7-3-2-6-19(21)26/h2-4,6-8,10,14-15,20H,5,9,11-13,16-17H2,1H3
InChIKey	NPKVLBZEZNQSBG-UHFFFAOYSA-N
XLogP	4.63
TPSA	59.08 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.63
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide?

The IUPAC name of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide (CID 46011716) is N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide.

What is the SMILES notation for N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide?

The canonical SMILES for N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide is COCCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(=O)c1cccs1.

What is the InChIKey of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide?

The InChIKey is NPKVLBZEZNQSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S2/c1-31-13-5-11-27(25(30)23-8-4-14-33-23)16-24(29)28-12-9-22-18(10-15-34-22)20(28)17-32-21-7-3-2-6-19(21)26/h2-4,6-8,10,14-15,20H,5,9,11-13,16-17H2,1H3.

What are the key properties of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide?

N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide has a molecular weight of 502.63 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 46011716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).