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

C22H27FN2O4S — CID 46011714

IUPACN-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(C)=O
InChIInChI=1S/C22H27FN2O4S/c1-16(26)24(10-5-12-28-2)14-22(27)25-11-8-21-17(9-13-30-21)19(25)15-29-20-7-4-3-6-18(20)23/h3-4,6-7,9,13,19H,5,8,10-12,14-15H2,1-2H3
InChIKeyLDTYLSFKQCFFAE-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.28
Rot. Bonds9

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

N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide (PubChem CID 46011714) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide
PubChem CID46011714
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(C)=O
InChIInChI=1S/C22H27FN2O4S/c1-16(26)24(10-5-12-28-2)14-22(27)25-11-8-21-17(9-13-30-21)19(25)15-29-20-7-4-3-6-18(20)23/h3-4,6-7,9,13,19H,5,8,10-12,14-15H2,1-2H3
InChIKeyLDTYLSFKQCFFAE-UHFFFAOYSA-N
XLogP3.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

RU-Ski 43
CID 46006640
N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510848
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 25162730
N-ethyl-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 137647780
N-butan-2-yl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510887
[4-[2-(4-Methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 90643636
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
Ethanone, 1-[4-[(4-chloro-3-Methylphenoxy)Methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-[(3-Methoxypropyl)aMino]-
CID 46006632
N-tert-butyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 137661941
(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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide (CID 46011714) is N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide is COCCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(C)=O.
What is the InChIKey of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is LDTYLSFKQCFFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-16(26)24(10-5-12-28-2)14-22(27)25-11-8-21-17(9-13-30-21)19(25)15-29-20-7-4-3-6-18(20)23/h3-4,6-7,9,13,19H,5,8,10-12,14-15H2,1-2H3.
What are the key properties of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide?
N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 434.53 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 46011714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).