2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine

C20H26N2O6S2 — CID 1100900

IUPAC2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine
SMILESCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CC
InChIInChI=1S/C20H26N2O6S2/c1-5-29(23,24)20(30(25,26)6-2)19(21-15-7-11-17(27-3)12-8-15)22-16-9-13-18(28-4)14-10-16/h7-14,21-22H,5-6H2,1-4H3
InChIKeyKBNGLKGCEGKOGV-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.22
Rot. Bonds10

About 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine

2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine (PubChem CID 1100900) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine.

Molecular Properties

Compound Name2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine
PubChem CID1100900
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC Name2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine
SMILESCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CC
InChIInChI=1S/C20H26N2O6S2/c1-5-29(23,24)20(30(25,26)6-2)19(21-15-7-11-17(27-3)12-8-15)22-16-9-13-18(28-4)14-10-16/h7-14,21-22H,5-6H2,1-4H3
InChIKeyKBNGLKGCEGKOGV-UHFFFAOYSA-N
XLogP3.22
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine 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 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine?
The IUPAC name of 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine (CID 1100900) is 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine.
What is the SMILES notation for 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine?
The canonical SMILES for 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine is CCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CC.
What is the InChIKey of 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine?
The InChIKey is KBNGLKGCEGKOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-5-29(23,24)20(30(25,26)6-2)19(21-15-7-11-17(27-3)12-8-15)22-16-9-13-18(28-4)14-10-16/h7-14,21-22H,5-6H2,1-4H3.
What are the key properties of 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine?
2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine has a molecular weight of 454.57 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine is sourced from PubChem (CID 1100900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).