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

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

N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide (PubChem CID 93168859) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name	N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide
PubChem CID	93168859
Molecular Formula	C28H32N2O4S
Molecular Weight	492.64 g/mol
Exact Mass	492.21
IUPAC Name	N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide
SMILES	COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)Cc1ccccc1
InChI	InChI=1S/C28H32N2O4S/c1-33-17-8-15-29(27(31)19-22-9-4-2-5-10-22)20-28(32)30-16-13-26-24(14-18-35-26)25(30)21-34-23-11-6-3-7-12-23/h2-7,9-12,14,18,25H,8,13,15-17,19-21H2,1H3/t25-/m1/s1
InChIKey	BBNMJWNRAIRRSJ-RUZDIDTESA-N
XLogP	4.36
TPSA	59.08 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.64
LogP ≤ 5	4.36
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)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide?

The IUPAC name of N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide (CID 93168859) is N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide.

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

The canonical SMILES for N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide is COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)Cc1ccccc1.

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

The InChIKey is BBNMJWNRAIRRSJ-RUZDIDTESA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-33-17-8-15-29(27(31)19-22-9-4-2-5-10-22)20-28(32)30-16-13-26-24(14-18-35-26)25(30)21-34-23-11-6-3-7-12-23/h2-7,9-12,14,18,25H,8,13,15-17,19-21H2,1H3/t25-/m1/s1.

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

N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide has a molecular weight of 492.64 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 93168859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).