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

C42H30N4O4S2 — CID 161250694

IUPAC4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine;1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESNc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.O=C1CCC(=O)N1c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C23H16N2O3S.C19H14N2OS/c26-21-10-11-22(27)25(21)23-12-18-19(13-24-14-20(18)29-23)28-17-8-6-16(7-9-17)15-4-2-1-3-5-15;20-19-10-16-17(11-21-12-18(16)23-19)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12-14H,10-11H2;1-12H,20H2
InChIKeyVBFPZVHGNWFYHJ-UHFFFAOYSA-N
MW718.86 g/mol
LogP10.75
Rot. Bonds7

About 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

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 (PubChem CID 161250694) has the molecular formula C42H30N4O4S2 and a molecular weight of 718.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine;1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID161250694
Molecular FormulaC42H30N4O4S2
Molecular Weight718.86 g/mol
Exact Mass718.17
IUPAC Name4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine;1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESNc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.O=C1CCC(=O)N1c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C23H16N2O3S.C19H14N2OS/c26-21-10-11-22(27)25(21)23-12-18-19(13-24-14-20(18)29-23)28-17-8-6-16(7-9-17)15-4-2-1-3-5-15;20-19-10-16-17(11-21-12-18(16)23-19)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12-14H,10-11H2;1-12H,20H2
InChIKeyVBFPZVHGNWFYHJ-UHFFFAOYSA-N
XLogP10.75
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
4-(Biphenyl-4-yloxy)-thieno[2,3-c]pyridin-2-ylamine
CID 58622516
1-[4-(Biphenyl-4-yloxy)-thieno[2,3-c]pyridin-2-yl]-pyrrolidine-2,5-dione
CID 58622630
2-(5-Benzyloxy-pyridin-3-yl)-4-(biphenyl-4-yloxy)-thieno[2,3-c]pyridine
CID 69485333
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
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]pyridin-2-amine;1-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.O=C1CCC(=O)N1c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 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?
The InChIKey is VBFPZVHGNWFYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3S.C19H14N2OS/c26-21-10-11-22(27)25(21)23-12-18-19(13-24-14-20(18)29-23)28-17-8-6-16(7-9-17)15-4-2-1-3-5-15;20-19-10-16-17(11-21-12-18(16)23-19)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12-14H,10-11H2;1-12H,20H2.
What are the key properties of 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?
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 has a molecular weight of 718.86 g/mol, XLogP of 10.75, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161250694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).