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

C62H43F3N6O4S3 — CID 158170068

IUPAC4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide
SMILESN#Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.O=C(NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1)C(F)(F)F
InChIInChI=1S/C22H15F3N2O2S.C20H16N2OS.C20H12N2OS/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;2*21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,27,28);1-10,12-13H,11,21H2;1-10,12-13H
InChIKeyFXINUGAQKIAORX-UHFFFAOYSA-N
MW1089.26 g/mol
LogP16.78
Rot. Bonds12

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

4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide (PubChem CID 158170068) has the molecular formula C62H43F3N6O4S3 and a molecular weight of 1089.26 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide
PubChem CID158170068
Molecular FormulaC62H43F3N6O4S3
Molecular Weight1089.26 g/mol
Exact Mass1088.25
IUPAC Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide
SMILESN#Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.O=C(NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1)C(F)(F)F
InChIInChI=1S/C22H15F3N2O2S.C20H16N2OS.C20H12N2OS/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;2*21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,27,28);1-10,12-13H,11,21H2;1-10,12-13H
InChIKeyFXINUGAQKIAORX-UHFFFAOYSA-N
XLogP16.78
TPSA145.27 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.26
LogP ≤ 516.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide with MolForge

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Related Compounds

2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide
CID 58622546
N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile
CID 157304649
N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 158007408
4-(4-Phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
CID 159582804
Acetic acid;4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide
CID 159891205
4-(4-Phenylphenoxy)thieno[2,3-c]pyridin-2-amine;1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione
CID 161250694
4-(4-Phenylphenoxy)thieno[2,3-c]pyridine;2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
CID 161841879

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide?
The IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide (CID 158170068) is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide.
What is the SMILES notation for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide?
The canonical SMILES for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide is N#Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.O=C(NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1)C(F)(F)F.
What is the InChIKey of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide?
The InChIKey is FXINUGAQKIAORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2S.C20H16N2OS.C20H12N2OS/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;2*21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,27,28);1-10,12-13H,11,21H2;1-10,12-13H.
What are the key properties of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide?
4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide has a molecular weight of 1089.26 g/mol, XLogP of 16.78, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide is sourced from PubChem (CID 158170068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).