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

C23H29FN2O3S — CID 46012199

IUPACN-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide
SMILESCCC(C)CN(CC(=O)N1CCc2sccc2C1COc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C23H29FN2O3S/c1-4-16(2)13-25(17(3)27)14-23(28)26-11-9-22-20(10-12-30-22)21(26)15-29-19-7-5-18(24)6-8-19/h5-8,10,12,16,21H,4,9,11,13-15H2,1-3H3
InChIKeyXLJFNUCCHNXUOB-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.29
Rot. Bonds8

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

N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide (PubChem CID 46012199) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide
PubChem CID46012199
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC NameN-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide
SMILESCCC(C)CN(CC(=O)N1CCc2sccc2C1COc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C23H29FN2O3S/c1-4-16(2)13-25(17(3)27)14-23(28)26-11-9-22-20(10-12-30-22)21(26)15-29-19-7-5-18(24)6-8-19/h5-8,10,12,16,21H,4,9,11,13-15H2,1-3H3
InChIKeyXLJFNUCCHNXUOB-UHFFFAOYSA-N
XLogP4.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]thiophene-2-carboxamide
CID 93170858
3-tert-butyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[(2S)-2-methylbutyl]urea
CID 93172434
N-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]-2-phenylacetamide
CID 93170897
3-chloro-N-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]benzamide
CID 93170908
N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylacetamide
CID 93170984
N-[(2R)-butan-2-yl]-N-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 93170640
4-fluoro-N-[2-[(4S)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]benzamide
CID 93170352
2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
CID 93167383
N-[(2S)-butan-2-yl]-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 93170663
N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-[(2R)-2-methylbutyl]propanamide
CID 93166405
1-[(2S)-butan-2-yl]-1-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 93172378
N-butan-2-yl-N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxyacetamide
CID 46012125

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide?
The IUPAC name of N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide (CID 46012199) is N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide.
What is the SMILES notation for N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide?
The canonical SMILES for N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide is CCC(C)CN(CC(=O)N1CCc2sccc2C1COc1ccc(F)cc1)C(C)=O.
What is the InChIKey of N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide?
The InChIKey is XLJFNUCCHNXUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c1-4-16(2)13-25(17(3)27)14-23(28)26-11-9-22-20(10-12-30-22)21(26)15-29-19-7-5-18(24)6-8-19/h5-8,10,12,16,21H,4,9,11,13-15H2,1-3H3.
What are the key properties of N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide?
N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide has a molecular weight of 432.56 g/mol, XLogP of 4.29, 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-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide is sourced from PubChem (CID 46012199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).