About N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 51041144) has the molecular formula C24H20F2N4O4S2
and a molecular weight of 530.58 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide |
|---|
| PubChem CID | 51041144 |
|---|
| Molecular Formula | C24H20F2N4O4S2 |
|---|
| Molecular Weight | 530.58 g/mol |
|---|
| Exact Mass | 530.09 |
|---|
| IUPAC Name | N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide |
|---|
| SMILES | Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(C)=O)sc34)cc2F)c1 |
|---|
| InChI | InChI=1S/C24H20F2N4O4S2/c1-13-4-6-15(25)18(10-13)29-24(32)28-17-7-5-14(11-16(17)26)34-20-8-9-27-19-12-21(35-22(19)20)23(31)30-36(2,3)33/h4-12H,1-3H3,(H2,28,29,32) |
|---|
| InChIKey | WQVQUQGTLOBFOR-UHFFFAOYSA-N |
|---|
| XLogP | 6.19 |
|---|
| TPSA | 109.75 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 530.58 |
| LogP ≤ 5 | 6.19 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (CID 51041144) is N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(C)=O)sc34)cc2F)c1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is WQVQUQGTLOBFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4S2/c1-13-4-6-15(25)18(10-13)29-24(32)28-17-7-5-14(11-16(17)26)34-20-8-9-27-19-12-21(35-22(19)20)23(31)30-36(2,3)33/h4-12H,1-3H3,(H2,28,29,32).
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 530.58 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 51041144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).