N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

About N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (PubChem CID 46011321) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name	N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
PubChem CID	46011321
Molecular Formula	C28H32N2O4S
Molecular Weight	492.64 g/mol
Exact Mass	492.21
IUPAC Name	N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
SMILES	COCCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1)C(=O)c1ccccc1C
InChI	InChI=1S/C28H32N2O4S/c1-21-9-6-7-12-23(21)28(32)29(15-8-17-33-2)19-27(31)30-16-13-26-24(14-18-35-26)25(30)20-34-22-10-4-3-5-11-22/h3-7,9-12,14,18,25H,8,13,15-17,19-20H2,1-2H3
InChIKey	JCAHACVKVGGBKR-UHFFFAOYSA-N
XLogP	4.74
TPSA	59.08 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.64
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

The IUPAC name of N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (CID 46011321) is N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

The canonical SMILES for N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is COCCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1)C(=O)c1ccccc1C.

What is the InChIKey of N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

The InChIKey is JCAHACVKVGGBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-21-9-6-7-12-23(21)28(32)29(15-8-17-33-2)19-27(31)30-16-13-26-24(14-18-35-26)25(30)20-34-22-10-4-3-5-11-22/h3-7,9-12,14,18,25H,8,13,15-17,19-20H2,1-2H3.

What are the key properties of N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide has a molecular weight of 492.64 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is sourced from PubChem (CID 46011321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).