2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide

C22H15F3N2O2S — CID 58622546

IUPAC2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide
SMILESO=C(NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1)C(F)(F)F
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)21(28)27-11-17-10-18-19(12-26-13-20(18)30-17)29-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,27,28)
InChIKeyRDCGJHZTORZWTF-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.93
Rot. Bonds5

About 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide

2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide (PubChem CID 58622546) has the molecular formula C22H15F3N2O2S and a molecular weight of 428.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide
PubChem CID58622546
Molecular FormulaC22H15F3N2O2S
Molecular Weight428.44 g/mol
Exact Mass428.08
IUPAC Name2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide
SMILESO=C(NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1)C(F)(F)F
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)21(28)27-11-17-10-18-19(12-26-13-20(18)30-17)29-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,27,28)
InChIKeyRDCGJHZTORZWTF-UHFFFAOYSA-N
XLogP5.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9878930
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CID 9921987
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CID 9922793
CID 9922793
CID 9944101
CID 9944101
CID 9945784
CID 9945784
CID 9946991
CID 9946991
CID 9967126
CID 9967126
CID 10116693
CID 10116693
CID 10155661
CID 10155661
CID 10177047
CID 10177047

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide (CID 58622546) is 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide is O=C(NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide?
The InChIKey is RDCGJHZTORZWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2S/c23-22(24,25)21(28)27-11-17-10-18-19(12-26-13-20(18)30-17)29-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,27,28).
What are the key properties of 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide has a molecular weight of 428.44 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide is sourced from PubChem (CID 58622546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).