N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

C26H24FN3O3S — CID 86290418

IUPACN,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2nccc(Oc3cccc(C(=O)Nc4cc(C)ccc4F)c3)c2s1
InChIInChI=1S/C26H24FN3O3S/c1-4-30(5-2)26(32)23-15-21-24(34-23)22(11-12-28-21)33-18-8-6-7-17(14-18)25(31)29-20-13-16(3)9-10-19(20)27/h6-15H,4-5H2,1-3H3,(H,29,31)
InChIKeyWBJVUGSJBYLLEY-UHFFFAOYSA-N
MW477.56 g/mol
LogP6.27
Rot. Bonds7

About N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 86290418) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID86290418
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC NameN,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2nccc(Oc3cccc(C(=O)Nc4cc(C)ccc4F)c3)c2s1
InChIInChI=1S/C26H24FN3O3S/c1-4-30(5-2)26(32)23-15-21-24(34-23)22(11-12-28-21)33-18-8-6-7-17(14-18)25(31)29-20-13-16(3)9-10-19(20)27/h6-15H,4-5H2,1-3H3,(H,29,31)
InChIKeyWBJVUGSJBYLLEY-UHFFFAOYSA-N
XLogP6.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (CID 86290418) is N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is CCN(CC)C(=O)c1cc2nccc(Oc3cccc(C(=O)Nc4cc(C)ccc4F)c3)c2s1.
What is the InChIKey of N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is WBJVUGSJBYLLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-4-30(5-2)26(32)23-15-21-24(34-23)22(11-12-28-21)33-18-8-6-7-17(14-18)25(31)29-20-13-16(3)9-10-19(20)27/h6-15H,4-5H2,1-3H3,(H,29,31).
What are the key properties of N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 86290418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).