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

C27H29FN2O4S — CID 5108667

IUPACN-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide
SMILESCOCCCN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C27H29FN2O4S/c1-33-16-5-14-29(26(32)19-34-22-6-3-2-4-7-22)18-25(31)30-15-12-24-23(13-17-35-24)27(30)20-8-10-21(28)11-9-20/h2-4,6-11,13,17,27H,5,12,14-16,18-19H2,1H3
InChIKeyLGNXGXLUIBBGBL-UHFFFAOYSA-N
MW496.60 g/mol
LogP4.31
Rot. Bonds10

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

N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide (PubChem CID 5108667) has the molecular formula C27H29FN2O4S and a molecular weight of 496.60 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide
PubChem CID5108667
Molecular FormulaC27H29FN2O4S
Molecular Weight496.60 g/mol
Exact Mass496.18
IUPAC NameN-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide
SMILESCOCCCN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C27H29FN2O4S/c1-33-16-5-14-29(26(32)19-34-22-6-3-2-4-7-22)18-25(31)30-15-12-24-23(13-17-35-24)27(30)20-8-10-21(28)11-9-20/h2-4,6-11,13,17,27H,5,12,14-16,18-19H2,1H3
InChIKeyLGNXGXLUIBBGBL-UHFFFAOYSA-N
XLogP4.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide with MolForge

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Related Compounds

RU-Ski 43
CID 46006640
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 4964222
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 25162730
N-ethyl-2-(4-ethylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 137651080
N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510887
2-(3-methylphenoxy)-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]acetamide
CID 17014737
2-(2-methylphenoxy)-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]acetamide
CID 18150829
2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 24979455
N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide
CID 162652497
(E)-4,4,4-trifluoro-1-[7-[(4-methoxyphenoxy)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]but-2-en-1-one
CID 156012601
2-(2-fluorophenoxy)-N-(2-morpholino-2-(thiophen-3-yl)ethyl)acetamide
CID 16931756

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide (CID 5108667) is N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide is COCCCN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)COc1ccccc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide?
The InChIKey is LGNXGXLUIBBGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4S/c1-33-16-5-14-29(26(32)19-34-22-6-3-2-4-7-22)18-25(31)30-15-12-24-23(13-17-35-24)27(30)20-8-10-21(28)11-9-20/h2-4,6-11,13,17,27H,5,12,14-16,18-19H2,1H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide?
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide has a molecular weight of 496.60 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenoxyacetamide is sourced from PubChem (CID 5108667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).