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

C26H27FN2O3S — CID 3915496

IUPACN-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C26H27FN2O3S/c1-2-14-28(25(31)18-32-21-6-4-3-5-7-21)17-24(30)29-15-12-23-22(13-16-33-23)26(29)19-8-10-20(27)11-9-19/h3-11,13,16,26H,2,12,14-15,17-18H2,1H3
InChIKeyRJULNPOPJPSVJH-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.68
Rot. Bonds8

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

N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide (PubChem CID 3915496) has the molecular formula C26H27FN2O3S and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide
PubChem CID3915496
Molecular FormulaC26H27FN2O3S
Molecular Weight466.58 g/mol
Exact Mass466.17
IUPAC NameN-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C26H27FN2O3S/c1-2-14-28(25(31)18-32-21-6-4-3-5-7-21)17-24(30)29-15-12-23-22(13-16-33-23)26(29)19-8-10-20(27)11-9-19/h3-11,13,16,26H,2,12,14-15,17-18H2,1H3
InChIKeyRJULNPOPJPSVJH-UHFFFAOYSA-N
XLogP4.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

RU-Ski 43
CID 46006640
N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510848
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CID 67510929
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 67510971
N-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511212
N-ethyl-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511310
2-(4-methylphenoxy)-N-propyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511470
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512098
1-[([1,1'-Biphenyl]-4-yloxy)acetyl]-4-(2-thienylcarbonyl)piperazine
CID 3149185
N-(2-(4-(4-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-oxoethyl)-N-isobutylfuran-2-carboxamide
CID 4239464

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]-2-phenoxy-N-propylacetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide (CID 3915496) is N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide is CCCN(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]-2-phenoxy-N-propylacetamide?
The InChIKey is RJULNPOPJPSVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3S/c1-2-14-28(25(31)18-32-21-6-4-3-5-7-21)17-24(30)29-15-12-23-22(13-16-33-23)26(29)19-8-10-20(27)11-9-19/h3-11,13,16,26H,2,12,14-15,17-18H2,1H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide?
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide has a molecular weight of 466.58 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 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]-2-phenoxy-N-propylacetamide is sourced from PubChem (CID 3915496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).