4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C26H20ClFN2O2S — CID 155546314

IUPAC4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C26H20ClFN2O2S/c27-18-3-1-17(2-4-18)25-23-14-16-33-24(23)13-15-30(25)26(31)29-20-7-11-22(12-8-20)32-21-9-5-19(28)6-10-21/h1-12,14,16,25H,13,15H2,(H,29,31)
InChIKeyDGLNBTVSTJCTTO-UHFFFAOYSA-N
MW478.98 g/mol
LogP7.51
Rot. Bonds4

About 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155546314) has the molecular formula C26H20ClFN2O2S and a molecular weight of 478.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155546314
Molecular FormulaC26H20ClFN2O2S
Molecular Weight478.98 g/mol
Exact Mass478.09
IUPAC Name4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C26H20ClFN2O2S/c27-18-3-1-17(2-4-18)25-23-14-16-33-24(23)13-15-30(25)26(31)29-20-7-11-22(12-8-20)32-21-9-5-19(28)6-10-21/h1-12,14,16,25H,13,15H2,(H,29,31)
InChIKeyDGLNBTVSTJCTTO-UHFFFAOYSA-N
XLogP7.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155546314) is 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is DGLNBTVSTJCTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN2O2S/c27-18-3-1-17(2-4-18)25-23-14-16-33-24(23)13-15-30(25)26(31)29-20-7-11-22(12-8-20)32-21-9-5-19(28)6-10-21/h1-12,14,16,25H,13,15H2,(H,29,31).
What are the key properties of 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 7.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155546314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).