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

C21H25FN2O4S — CID 46011643

IUPACN-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(C)=O
InChIInChI=1S/C21H25FN2O4S/c1-15(25)23(10-11-27-2)13-21(26)24-9-7-20-16(8-12-29-20)18(24)14-28-19-6-4-3-5-17(19)22/h3-6,8,12,18H,7,9-11,13-14H2,1-2H3
InChIKeyYCGHNDCPNRYJCT-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.89
Rot. Bonds8

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

N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide (PubChem CID 46011643) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 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-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
PubChem CID46011643
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(C)=O
InChIInChI=1S/C21H25FN2O4S/c1-15(25)23(10-11-27-2)13-21(26)24-9-7-20-16(8-12-29-20)18(24)14-28-19-6-4-3-5-17(19)22/h3-6,8,12,18H,7,9-11,13-14H2,1-2H3
InChIKeyYCGHNDCPNRYJCT-UHFFFAOYSA-N
XLogP2.89
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(2-methoxyethyl)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-(2-methoxyethyl)acetamide (CID 46011643) is N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)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-(2-methoxyethyl)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-(2-methoxyethyl)acetamide is COCCN(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-(2-methoxyethyl)acetamide?
The InChIKey is YCGHNDCPNRYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-15(25)23(10-11-27-2)13-21(26)24-9-7-20-16(8-12-29-20)18(24)14-28-19-6-4-3-5-17(19)22/h3-6,8,12,18H,7,9-11,13-14H2,1-2H3.
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-(2-methoxyethyl)acetamide?
N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.89, 8 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-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46011643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).