About 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 162647879) has the molecular formula C30H29N5O4S
and a molecular weight of 555.66 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide.
Molecular Properties
| Compound Name | 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide |
|---|
| PubChem CID | 162647879 |
|---|
| Molecular Formula | C30H29N5O4S |
|---|
| Molecular Weight | 555.66 g/mol |
|---|
| Exact Mass | 555.19 |
|---|
| IUPAC Name | 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide |
|---|
| SMILES | COc1ccc(S(=O)(=O)NCCNc2cc(-c3[nH]c(-c4ccccc4)nc3-c3cccc(OC)c3)ccn2)cc1 |
|---|
| InChI | InChI=1S/C30H29N5O4S/c1-38-24-11-13-26(14-12-24)40(36,37)33-18-17-32-27-20-23(15-16-31-27)29-28(22-9-6-10-25(19-22)39-2)34-30(35-29)21-7-4-3-5-8-21/h3-16,19-20,33H,17-18H2,1-2H3,(H,31,32)(H,34,35) |
|---|
| InChIKey | GTTIFCWNATVCBG-UHFFFAOYSA-N |
|---|
| XLogP | 5.21 |
|---|
| TPSA | 118.23 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 555.66 |
| LogP ≤ 5 | 5.21 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide 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 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide (CID 162647879) is 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCNc2cc(-c3[nH]c(-c4ccccc4)nc3-c3cccc(OC)c3)ccn2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The InChIKey is GTTIFCWNATVCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O4S/c1-38-24-11-13-26(14-12-24)40(36,37)33-18-17-32-27-20-23(15-16-31-27)29-28(22-9-6-10-25(19-22)39-2)34-30(35-29)21-7-4-3-5-8-21/h3-16,19-20,33H,17-18H2,1-2H3,(H,31,32)(H,34,35).
What are the key properties of 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 555.66 g/mol, XLogP of 5.21, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 162647879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).