(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

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 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).