3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide

C24H22FN3O3S — CID 55888504

IUPAC3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C24H22FN3O3S/c25-18-4-2-6-20(14-18)27-24(31)16-3-1-5-19(13-16)26-22(29)7-8-23(30)28-11-9-21-17(15-28)10-12-32-21/h1-6,10,12-14H,7-9,11,15H2,(H,26,29)(H,27,31)
InChIKeyONKBBCDMECKYIC-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.44
Rot. Bonds6

About 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide

3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide (PubChem CID 55888504) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
PubChem CID55888504
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C24H22FN3O3S/c25-18-4-2-6-20(14-18)27-24(31)16-3-1-5-19(13-16)26-22(29)7-8-23(30)28-11-9-21-17(15-28)10-12-32-21/h1-6,10,12-14H,7-9,11,15H2,(H,26,29)(H,27,31)
InChIKeyONKBBCDMECKYIC-UHFFFAOYSA-N
XLogP4.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 55872850
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
CID 55902295
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55872616
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 52694536
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 87026066
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55842799
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 55873910
4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55891202
N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55871998
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 55883129
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 26024525
3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
CID 33301260

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide (CID 55888504) is 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide is O=C(CCC(=O)N1CCc2sccc2C1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide?
The InChIKey is ONKBBCDMECKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c25-18-4-2-6-20(14-18)27-24(31)16-3-1-5-19(13-16)26-22(29)7-8-23(30)28-11-9-21-17(15-28)10-12-32-21/h1-6,10,12-14H,7-9,11,15H2,(H,26,29)(H,27,31).
What are the key properties of 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide?
3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide has a molecular weight of 451.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 55888504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).