N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide

C22H22N2O2S2 — CID 9074692

About N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide

N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide (PubChem CID 9074692) has the molecular formula C22H22N2O2S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
• PubChem CID: 9074692
• Molecular Formula: C22H22N2O2S2
• Molecular Weight: 410.56 g/mol
• Exact Mass: 410.11
• IUPAC Name: N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
• SMILES: CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccccc1
• InChI: InChI=1S/C22H22N2O2S2/c1-15(25)23-18(16-6-3-2-4-7-16)14-21(26)24-11-9-19-17(10-13-28-19)22(24)20-8-5-12-27-20/h2-8,10,12-13,18,22H,9,11,14H2,1H3,(H,23,25)/t18-,22-/m0/s1
• InChIKey: OSJFNPHPSDKNPJ-AVRDEDQJSA-N
• XLogP: 4.55
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.56
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide?

The IUPAC name of N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide (CID 9074692) is N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide.

What is the SMILES notation for N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide?

The canonical SMILES for N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide is CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccccc1.

What is the InChIKey of N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide?

The InChIKey is OSJFNPHPSDKNPJ-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H22N2O2S2/c1-15(25)23-18(16-6-3-2-4-7-16)14-21(26)24-11-9-19-17(10-13-28-19)22(24)20-8-5-12-27-20/h2-8,10,12-13,18,22H,9,11,14H2,1H3,(H,23,25)/t18-,22-/m0/s1.

What are the key properties of N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide?

N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide is sourced from PubChem (CID 9074692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).