2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide

C19H23N2OS+ — CID 9001997

About 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide

2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 9001997) has the molecular formula C19H23N2OS+ and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide
• PubChem CID: 9001997
• Molecular Formula: C19H23N2OS+
• Molecular Weight: 327.47 g/mol
• Exact Mass: 327.15
• IUPAC Name: 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)C[NH+]2CCc3sccc3[C@@H]2C2CC2)cc1
• InChI: InChI=1S/C19H22N2OS/c1-13-2-6-15(7-3-13)20-18(22)12-21-10-8-17-16(9-11-23-17)19(21)14-4-5-14/h2-3,6-7,9,11,14,19H,4-5,8,10,12H2,1H3,(H,20,22)/p+1/t19-/m0/s1
• InChIKey: OPRLYKMRGOQBMN-IBGZPJMESA-O
• XLogP: 2.59
• TPSA: 33.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.47
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide (CID 9001997) is 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[NH+]2CCc3sccc3[C@@H]2C2CC2)cc1.

What is the InChIKey of 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide?

The InChIKey is OPRLYKMRGOQBMN-IBGZPJMESA-O. The full InChI is InChI=1S/C19H22N2OS/c1-13-2-6-15(7-3-13)20-18(22)12-21-10-8-17-16(9-11-23-17)19(21)14-4-5-14/h2-3,6-7,9,11,14,19H,4-5,8,10,12H2,1H3,(H,20,22)/p+1/t19-/m0/s1.

What are the key properties of 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide?

2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 327.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9001997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).