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

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

N-(3-methoxypropyl)-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 46011509) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound Name	N-(3-methoxypropyl)-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID	46011509
Molecular Formula	C27H36N2O4S
Molecular Weight	484.66 g/mol
Exact Mass	484.24
IUPAC Name	N-(3-methoxypropyl)-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide
SMILES	COCCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C)cc1)C(=O)C1CCCC1
InChI	InChI=1S/C27H36N2O4S/c1-20-8-10-22(11-9-20)33-19-24-23-13-17-34-25(23)12-15-29(24)26(30)18-28(14-5-16-32-2)27(31)21-6-3-4-7-21/h8-11,13,17,21,24H,3-7,12,14-16,18-19H2,1-2H3
InChIKey	GNYQIKCEIZZXNR-UHFFFAOYSA-N
XLogP	4.62
TPSA	59.08 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.66
LogP ≤ 5	4.62
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-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide?

The IUPAC name of N-(3-methoxypropyl)-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide (CID 46011509) is N-(3-methoxypropyl)-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-(3-methoxypropyl)-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide is COCCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C)cc1)C(=O)C1CCCC1.

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

The InChIKey is GNYQIKCEIZZXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-20-8-10-22(11-9-20)33-19-24-23-13-17-34-25(23)12-15-29(24)26(30)18-28(14-5-16-32-2)27(31)21-6-3-4-7-21/h8-11,13,17,21,24H,3-7,12,14-16,18-19H2,1-2H3.

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

N-(3-methoxypropyl)-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 484.66 g/mol, XLogP of 4.62, 10 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-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 46011509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).