N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C22H23F3N2O3S — CID 55653699

About N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 55653699) has the molecular formula C22H23F3N2O3S and a molecular weight of 452.50 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 55653699
• Molecular Formula: C22H23F3N2O3S
• Molecular Weight: 452.50 g/mol
• Exact Mass: 452.14
• IUPAC Name: N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1cc(C(C)NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)ccc1OC(C)C
• InChI: InChI=1S/C22H23F3N2O3S/c1-11(2)30-16-8-6-14(10-17(16)29-5)13(4)26-20(28)19-12(3)15-7-9-18(22(23,24)25)27-21(15)31-19/h6-11,13H,1-5H3,(H,26,28)
• InChIKey: IBCMPIHATZNVPS-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.50
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 55653699) is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cc(C(C)NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)ccc1OC(C)C.

What is the InChIKey of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is IBCMPIHATZNVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3S/c1-11(2)30-16-8-6-14(10-17(16)29-5)13(4)26-20(28)19-12(3)15-7-9-18(22(23,24)25)27-21(15)31-19/h6-11,13H,1-5H3,(H,26,28).

What are the key properties of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 55653699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).