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

C23H27FN2O4S — CID 46011748

IUPACN-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccccc1F)CC1CCCO1
InChIInChI=1S/C23H27FN2O4S/c1-16(27)25(13-17-5-4-11-29-17)14-23(28)26-10-8-22-18(9-12-31-22)20(26)15-30-21-7-3-2-6-19(21)24/h2-3,6-7,9,12,17,20H,4-5,8,10-11,13-15H2,1H3
InChIKeyPXWDDGKNTITYTM-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.42
Rot. Bonds7

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

N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46011748) has the molecular formula C23H27FN2O4S and a molecular weight of 446.54 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-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID46011748
Molecular FormulaC23H27FN2O4S
Molecular Weight446.54 g/mol
Exact Mass446.17
IUPAC NameN-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccccc1F)CC1CCCO1
InChIInChI=1S/C23H27FN2O4S/c1-16(27)25(13-17-5-4-11-29-17)14-23(28)26-10-8-22-18(9-12-31-22)20(26)15-30-21-7-3-2-6-19(21)24/h2-3,6-7,9,12,17,20H,4-5,8,10-11,13-15H2,1H3
InChIKeyPXWDDGKNTITYTM-UHFFFAOYSA-N
XLogP3.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.42
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-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)acetamide (CID 46011748) is N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccccc1F)CC1CCCO1.
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-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PXWDDGKNTITYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4S/c1-16(27)25(13-17-5-4-11-29-17)14-23(28)26-10-8-22-18(9-12-31-22)20(26)15-30-21-7-3-2-6-19(21)24/h2-3,6-7,9,12,17,20H,4-5,8,10-11,13-15H2,1H3.
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-(oxolan-2-ylmethyl)acetamide?
N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 446.54 g/mol, XLogP of 3.42, 7 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46011748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).