2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide

C20H18N2O3S2 — CID 9075638

IUPAC2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C20H18N2O3S2/c21-20(24)13-4-1-2-5-15(13)25-12-18(23)22-9-7-16-14(8-11-27-16)19(22)17-6-3-10-26-17/h1-6,8,10-11,19H,7,9,12H2,(H2,21,24)/t19-/m1/s1
InChIKeyGVEZKKAGLUFDFU-LJQANCHMSA-N
MW398.51 g/mol
LogP3.46
Rot. Bonds5

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

2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide (PubChem CID 9075638) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide
PubChem CID9075638
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C20H18N2O3S2/c21-20(24)13-4-1-2-5-15(13)25-12-18(23)22-9-7-16-14(8-11-27-16)19(22)17-6-3-10-26-17/h1-6,8,10-11,19H,7,9,12H2,(H2,21,24)/t19-/m1/s1
InChIKeyGVEZKKAGLUFDFU-LJQANCHMSA-N
XLogP3.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide
CID 94998494
2-(2-propoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075071
2-(2-propan-2-ylphenoxy)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075079
2-naphthalen-2-yloxy-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074657
2-(4-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
2-(4-bromo-2-fluorophenoxy)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46664905
2-(4-acetyl-2-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41113066
2-ethoxy-N-[4-oxo-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]benzamide
CID 55428509
3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
[2-(difluoromethoxy)phenyl]-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 43036207
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 40798555
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26207456

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide?
The IUPAC name of 2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide (CID 9075638) is 2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide.
What is the SMILES notation for 2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide?
The canonical SMILES for 2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N1CCc2sccc2[C@@H]1c1cccs1.
What is the InChIKey of 2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide?
The InChIKey is GVEZKKAGLUFDFU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c21-20(24)13-4-1-2-5-15(13)25-12-18(23)22-9-7-16-14(8-11-27-16)19(22)17-6-3-10-26-17/h1-6,8,10-11,19H,7,9,12H2,(H2,21,24)/t19-/m1/s1.
What are the key properties of 2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide?
2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide has a molecular weight of 398.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide is sourced from PubChem (CID 9075638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).