2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione

C24H22N2O4S2 — CID 46664819

IUPAC2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione
SMILESCOCCCN1C(=O)c2ccc(C(=O)N3CCc4sccc4C3c3cccs3)cc2C1=O
InChIInChI=1S/C24H22N2O4S2/c1-30-11-3-9-26-23(28)16-6-5-15(14-18(16)24(26)29)22(27)25-10-7-19-17(8-13-32-19)21(25)20-4-2-12-31-20/h2,4-6,8,12-14,21H,3,7,9-11H2,1H3
InChIKeyPBNQGQYENCMZIY-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.23
Rot. Bonds6

About 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione

2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione (PubChem CID 46664819) has the molecular formula C24H22N2O4S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione
PubChem CID46664819
Molecular FormulaC24H22N2O4S2
Molecular Weight466.58 g/mol
Exact Mass466.10
IUPAC Name2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione
SMILESCOCCCN1C(=O)c2ccc(C(=O)N3CCc4sccc4C3c3cccs3)cc2C1=O
InChIInChI=1S/C24H22N2O4S2/c1-30-11-3-9-26-23(28)16-6-5-15(14-18(16)24(26)29)22(27)25-10-7-19-17(8-13-32-19)21(25)20-4-2-12-31-20/h2,4-6,8,12-14,21H,3,7,9-11H2,1H3
InChIKeyPBNQGQYENCMZIY-UHFFFAOYSA-N
XLogP4.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione
CID 9075375
1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55430116
1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one
CID 42887482
2-(4-acetyl-2-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41113066
(2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 30854989
methyl 5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylate
CID 42942144
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075494
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075490

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione (CID 46664819) is 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione is COCCCN1C(=O)c2ccc(C(=O)N3CCc4sccc4C3c3cccs3)cc2C1=O.
What is the InChIKey of 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione?
The InChIKey is PBNQGQYENCMZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S2/c1-30-11-3-9-26-23(28)16-6-5-15(14-18(16)24(26)29)22(27)25-10-7-19-17(8-13-32-19)21(25)20-4-2-12-31-20/h2,4-6,8,12-14,21H,3,7,9-11H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione?
2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione has a molecular weight of 466.58 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione is sourced from PubChem (CID 46664819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).