N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide

C18H15F3N4O2S3 — CID 142460875

About N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide

N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide (PubChem CID 142460875) has the molecular formula C18H15F3N4O2S3 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide
• PubChem CID: 142460875
• Molecular Formula: C18H15F3N4O2S3
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.03
• IUPAC Name: N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide
• SMILES: CCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(NC(C)=O)csc12
• InChI: InChI=1S/C18H15F3N4O2S3/c1-4-30(27)16-14-13(10(7-28-14)23-8(2)26)29-15(16)17-24-9-5-12(18(19,20)21)22-6-11(9)25(17)3/h5-7H,4H2,1-3H3,(H,23,26)
• InChIKey: KCTWGBNNKOQFFE-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide?

The IUPAC name of N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide (CID 142460875) is N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide.

What is the SMILES notation for N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide?

The canonical SMILES for N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide is CCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(NC(C)=O)csc12.

What is the InChIKey of N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide?

The InChIKey is KCTWGBNNKOQFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S3/c1-4-30(27)16-14-13(10(7-28-14)23-8(2)26)29-15(16)17-24-9-5-12(18(19,20)21)22-6-11(9)25(17)3/h5-7H,4H2,1-3H3,(H,23,26).

What are the key properties of N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide?

N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide has a molecular weight of 472.54 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide is sourced from PubChem (CID 142460875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).