3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide

C21H27N3O5S — CID 163627149

IUPAC3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide
SMILESC/N=C/c1c(NC(=O)CCc2ccco2)sc2c1CCN(C(=O)COCCOC)C2
InChIInChI=1S/C21H27N3O5S/c1-22-12-17-16-7-8-24(20(26)14-28-11-10-27-2)13-18(16)30-21(17)23-19(25)6-5-15-4-3-9-29-15/h3-4,9,12H,5-8,10-11,13-14H2,1-2H3,(H,23,25)/b22-12+
InChIKeyHSZPECCOZMOVFI-WSDLNYQXSA-N
MW433.53 g/mol
LogP2.51
Rot. Bonds10

About 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide

3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide (PubChem CID 163627149) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide
PubChem CID163627149
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide
SMILESC/N=C/c1c(NC(=O)CCc2ccco2)sc2c1CCN(C(=O)COCCOC)C2
InChIInChI=1S/C21H27N3O5S/c1-22-12-17-16-7-8-24(20(26)14-28-11-10-27-2)13-18(16)30-21(17)23-19(25)6-5-15-4-3-9-29-15/h3-4,9,12H,5-8,10-11,13-14H2,1-2H3,(H,23,25)/b22-12+
InChIKeyHSZPECCOZMOVFI-WSDLNYQXSA-N
XLogP2.51
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyano-6-[2-(2-methoxyethoxy)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 11682743
2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11698262
N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide
CID 11993152
2,3-dihydroxypropyl 2-benzamido-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 143151767
pyridin-3-ylmethyl 3-(methyliminomethyl)-2-(3-pyridin-2-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 163900275
methyl 2-[3-(furan-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 18863042
2-(4-methylimidazol-1-yl)ethyl 3-(methyliminomethyl)-2-(3-pyridin-2-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 163597845
N-[6-(2-imidazol-1-ylacetyl)-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxyphenyl)butanamide
CID 143336088
N-[3-cyano-6-[2-(2-methoxyethoxy)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 68611303
N-[3-cyano-6-[2-[2-(2-methylcyclopropyl)oxyethoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-ethoxyphenyl)propanamide
CID 143335978
pyridin-3-ylmethyl 3-(methyliminomethyl)-2-(3-pyridin-3-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 163785942
N-[3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 59301577

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide (CID 163627149) is 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide is C/N=C/c1c(NC(=O)CCc2ccco2)sc2c1CCN(C(=O)COCCOC)C2.
What is the InChIKey of 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide?
The InChIKey is HSZPECCOZMOVFI-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-22-12-17-16-7-8-24(20(26)14-28-11-10-27-2)13-18(16)30-21(17)23-19(25)6-5-15-4-3-9-29-15/h3-4,9,12H,5-8,10-11,13-14H2,1-2H3,(H,23,25)/b22-12+.
What are the key properties of 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide?
3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide has a molecular weight of 433.53 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[6-[2-(2-methoxyethoxy)acetyl]-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide is sourced from PubChem (CID 163627149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).