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

C21H22N2OS2 — CID 9128676

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

N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 9128676) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
• PubChem CID: 9128676
• Molecular Formula: C21H22N2OS2
• Molecular Weight: 382.55 g/mol
• Exact Mass: 382.12
• IUPAC Name: N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
• SMILES: Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1C
• InChI: InChI=1S/C21H22N2OS2/c1-14-5-3-6-17(15(14)2)22-20(24)13-23-10-8-18-16(9-12-26-18)21(23)19-7-4-11-25-19/h3-7,9,11-12,21H,8,10,13H2,1-2H3,(H,22,24)/t21-/m0/s1
• InChIKey: CJCYKFYXCQOMNW-NRFANRHFSA-N
• XLogP: 5.01
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.55
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 9128676) is N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

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

The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1C.

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

The InChIKey is CJCYKFYXCQOMNW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2OS2/c1-14-5-3-6-17(15(14)2)22-20(24)13-23-10-8-18-16(9-12-26-18)21(23)19-7-4-11-25-19/h3-7,9,11-12,21H,8,10,13H2,1-2H3,(H,22,24)/t21-/m0/s1.

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

N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 382.55 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 9128676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).