(1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
C112H116N12O20S4 — CID 158260594
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](OC)c2ccc(C#N)cc2C#N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@H](OC)c2ccc(C#N)cc2C#N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](OC)c2ccc(C#N)cc2C#N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](OC)c2ccc(C#N)cc2C#N)cc1
InChIInChI=1S/4C28H29N3O5S/c4*1-20(28(36-4)27-14-9-23(16-29)15-24(27)17-30)37(32,33)31(18-21-5-10-25(34-2)11-6-21)19-22-7-12-26(35-3)13-8-22/h4*5-15,20,28H,18-19H2,1-4H3/t2*20-,28+;2*20-,28-/m1010/s1
InChIKeyGHVBGUXIUYKYTA-MIYXKEFASA-N
MW2078.49 g/mol
LogP18.22
Rot. Bonds44
About (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
(1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide (PubChem CID 158260594) has the molecular formula C112H116N12O20S4 and a molecular weight of 2078.49 g/mol. Its IUPAC name is (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide.
Molecular Properties
| Compound Name | (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide |
|---|---|
| PubChem CID | 158260594 |
| Molecular Formula | C112H116N12O20S4 |
| Molecular Weight | 2078.49 g/mol |
| Exact Mass | 2076.73 |
| IUPAC Name | (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide |
| SMILES | COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](OC)c2ccc(C#N)cc2C#N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@H](OC)c2ccc(C#N)cc2C#N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](OC)c2ccc(C#N)cc2C#N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](OC)c2ccc(C#N)cc2C#N)cc1 |
| InChI | InChI=1S/4C28H29N3O5S/c4*1-20(28(36-4)27-14-9-23(16-29)15-24(27)17-30)37(32,33)31(18-21-5-10-25(34-2)11-6-21)19-22-7-12-26(35-3)13-8-22/h4*5-15,20,28H,18-19H2,1-4H3/t2*20-,28+;2*20-,28-/m1010/s1 |
| InChIKey | GHVBGUXIUYKYTA-MIYXKEFASA-N |
| XLogP | 18.22 |
| TPSA | 450.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 148 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2078.49 |
| LogP ≤ 5 | 18.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide?
The IUPAC name of (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide (CID 158260594) is (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide?
The canonical SMILES for (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](OC)c2ccc(C#N)cc2C#N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@H](OC)c2ccc(C#N)cc2C#N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](OC)c2ccc(C#N)cc2C#N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](OC)c2ccc(C#N)cc2C#N)cc1.
What is the InChIKey of (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide?
The InChIKey is GHVBGUXIUYKYTA-MIYXKEFASA-N. The full InChI is InChI=1S/4C28H29N3O5S/c4*1-20(28(36-4)27-14-9-23(16-29)15-24(27)17-30)37(32,33)31(18-21-5-10-25(34-2)11-6-21)19-22-7-12-26(35-3)13-8-22/h4*5-15,20,28H,18-19H2,1-4H3/t2*20-,28+;2*20-,28-/m1010/s1.
What are the key properties of (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide?
(1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide has a molecular weight of 2078.49 g/mol, XLogP of 18.22, 44 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2S)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1R,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide;(1S,2R)-1-(2,4-dicyanophenyl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 158260594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158260594 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.