4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide

C16H16N2O3S — CID 17461255

IUPAC4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C16H16N2O3S/c17-16(20)11-1-3-13(4-2-11)21-10-15(19)18-7-5-14-12(9-18)6-8-22-14/h1-4,6,8H,5,7,9-10H2,(H2,17,20)
InChIKeyPUVDHGHWOXQEJB-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.81
Rot. Bonds4

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

4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide (PubChem CID 17461255) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide
PubChem CID17461255
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C16H16N2O3S/c17-16(20)11-1-3-13(4-2-11)21-10-15(19)18-7-5-14-12(9-18)6-8-22-14/h1-4,6,8H,5,7,9-10H2,(H2,17,20)
InChIKeyPUVDHGHWOXQEJB-UHFFFAOYSA-N
XLogP1.81
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 16605559
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 30001704
N-[4-acetyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]acetamide
CID 17485447
N-[3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616045
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 121154274
4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
CID 8608210
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-(4-bromophenoxy)propanoate
CID 55503588
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone
CID 75521054
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18142515
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide (CID 17461255) is 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide is NC(=O)c1ccc(OCC(=O)N2CCc3sccc3C2)cc1.
What is the InChIKey of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide?
The InChIKey is PUVDHGHWOXQEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c17-16(20)11-1-3-13(4-2-11)21-10-15(19)18-7-5-14-12(9-18)6-8-22-14/h1-4,6,8H,5,7,9-10H2,(H2,17,20).
What are the key properties of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide?
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide has a molecular weight of 316.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 17461255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).