4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide

C17H26N2O3S — CID 110002435

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide
SMILESCCC(C)(CCO)NC(=O)CCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C17H26N2O3S/c1-3-17(2,8-10-20)18-15(21)4-5-16(22)19-9-6-14-13(12-19)7-11-23-14/h7,11,20H,3-6,8-10,12H2,1-2H3,(H,18,21)
InChIKeySTCISYOWXOBHHC-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.08
Rot. Bonds7

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide (PubChem CID 110002435) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide
PubChem CID110002435
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide
SMILESCCC(C)(CCO)NC(=O)CCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C17H26N2O3S/c1-3-17(2,8-10-20)18-15(21)4-5-16(22)19-9-6-14-13(12-19)7-11-23-14/h7,11,20H,3-6,8-10,12H2,1-2H3,(H,18,21)
InChIKeySTCISYOWXOBHHC-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide with MolForge

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Related Compounds

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-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
(2S)-2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 119372661
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 55883129
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-oxobutanamide
CID 111543350
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 136516596
N-(3-aminopropyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
CID 119407293
2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
CID 55874753
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631475
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 60774931
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 52694536

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide (CID 110002435) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide is CCC(C)(CCO)NC(=O)CCC(=O)N1CCc2sccc2C1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide?
The InChIKey is STCISYOWXOBHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-17(2,8-10-20)18-15(21)4-5-16(22)19-9-6-14-13(12-19)7-11-23-14/h7,11,20H,3-6,8-10,12H2,1-2H3,(H,18,21).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide has a molecular weight of 338.47 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide is sourced from PubChem (CID 110002435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).