4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide

C23H26F2N2O5S — CID 10116693

IUPAC4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(C(=O)NC)cc23)cc1
InChIInChI=1S/C23H26F2N2O5S/c1-3-29-8-9-30-10-11-31-15-23(24,25)16-4-6-17(7-5-16)32-19-13-27-14-21-18(19)12-20(33-21)22(28)26-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,26,28)
InChIKeyJMJICFDZSPGFFM-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.61
Rot. Bonds13

About 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide

4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10116693) has the molecular formula C23H26F2N2O5S and a molecular weight of 480.53 g/mol. Its IUPAC name is 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID10116693
Molecular FormulaC23H26F2N2O5S
Molecular Weight480.53 g/mol
Exact Mass480.15
IUPAC Name4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(C(=O)NC)cc23)cc1
InChIInChI=1S/C23H26F2N2O5S/c1-3-29-8-9-30-10-11-31-15-23(24,25)16-4-6-17(7-5-16)32-19-13-27-14-21-18(19)12-20(33-21)22(28)26-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,26,28)
InChIKeyJMJICFDZSPGFFM-UHFFFAOYSA-N
XLogP4.61
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide (CID 10116693) is 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide is CCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(C(=O)NC)cc23)cc1.
What is the InChIKey of 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is JMJICFDZSPGFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O5S/c1-3-29-8-9-30-10-11-31-15-23(24,25)16-4-6-17(7-5-16)32-19-13-27-14-21-18(19)12-20(33-21)22(28)26-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,26,28).
What are the key properties of 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 4.61, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[2-(2-ethoxyethoxy)ethoxy]-1,1-difluoroethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10116693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).