About N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide (PubChem CID 169144424) has the molecular formula C25H26ClFN4O4S2
and a molecular weight of 565.09 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide.
Molecular Properties
| Compound Name | N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide |
|---|
| PubChem CID | 169144424 |
|---|
| Molecular Formula | C25H26ClFN4O4S2 |
|---|
| Molecular Weight | 565.09 g/mol |
|---|
| Exact Mass | 564.11 |
|---|
| IUPAC Name | N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide |
|---|
| SMILES | Cc1sc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ncc(N2CCC3(CC2)COC3)cc1F |
|---|
| InChI | InChI=1S/C25H26ClFN4O4S2/c1-15-20(23-21(27)10-19(12-28-23)31-5-3-25(4-6-31)13-35-14-25)11-22(36-15)24(32)29-17-7-16(26)8-18(9-17)30-37(2,33)34/h7-12,30H,3-6,13-14H2,1-2H3,(H,29,32) |
|---|
| InChIKey | DNGZOWYGUXIBBY-UHFFFAOYSA-N |
|---|
| XLogP | 5.15 |
|---|
| TPSA | 100.63 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 565.09 |
| LogP ≤ 5 | 5.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-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-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide (CID 169144424) is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ncc(N2CCC3(CC2)COC3)cc1F.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?
The InChIKey is DNGZOWYGUXIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O4S2/c1-15-20(23-21(27)10-19(12-28-23)31-5-3-25(4-6-31)13-35-14-25)11-22(36-15)24(32)29-17-7-16(26)8-18(9-17)30-37(2,33)34/h7-12,30H,3-6,13-14H2,1-2H3,(H,29,32).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide has a molecular weight of 565.09 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 169144424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).