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

C20H17ClN2O3S2 — CID 94998494

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

4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide (PubChem CID 94998494) has the molecular formula C20H17ClN2O3S2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide.

Molecular Properties

• Compound Name: 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide
• PubChem CID: 94998494
• Molecular Formula: C20H17ClN2O3S2
• Molecular Weight: 432.95 g/mol
• Exact Mass: 432.04
• IUPAC Name: 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide
• SMILES: NC(=O)c1ccc(Cl)cc1OCC(=O)N1CCc2sccc2[C@H]1c1cccs1
• InChI: InChI=1S/C20H17ClN2O3S2/c21-12-3-4-13(20(22)25)15(10-12)26-11-18(24)23-7-5-16-14(6-9-28-16)19(23)17-2-1-8-27-17/h1-4,6,8-10,19H,5,7,11H2,(H2,22,25)/t19-/m0/s1
• InChIKey: TWNSTDJELFJLDC-IBGZPJMESA-N
• XLogP: 4.11
• TPSA: 72.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.95
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide?

The IUPAC name of 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) is 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide.

What is the SMILES notation for 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide?

The canonical SMILES for 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide is NC(=O)c1ccc(Cl)cc1OCC(=O)N1CCc2sccc2[C@H]1c1cccs1.

What is the InChIKey of 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide?

The InChIKey is TWNSTDJELFJLDC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17ClN2O3S2/c21-12-3-4-13(20(22)25)15(10-12)26-11-18(24)23-7-5-16-14(6-9-28-16)19(23)17-2-1-8-27-17/h1-4,6,8-10,19H,5,7,11H2,(H2,22,25)/t19-/m0/s1.

What are the key properties of 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide?

4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide has a molecular weight of 432.95 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide is sourced from PubChem (CID 94998494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).