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

C24H34N2O6S2 — CID 5337708

IUPAC2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine
SMILESCCCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CCCC
InChIInChI=1S/C24H34N2O6S2/c1-5-7-17-33(27,28)24(34(29,30)18-8-6-2)23(25-19-9-13-21(31-3)14-10-19)26-20-11-15-22(32-4)16-12-20/h9-16,25-26H,5-8,17-18H2,1-4H3
InChIKeyORCBASHXNXMIFO-UHFFFAOYSA-N
MW510.68 g/mol
LogP4.78
Rot. Bonds14

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

2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine (PubChem CID 5337708) has the molecular formula C24H34N2O6S2 and a molecular weight of 510.68 g/mol. Its IUPAC name is 2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine.

Molecular Properties

Compound Name2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine
PubChem CID5337708
Molecular FormulaC24H34N2O6S2
Molecular Weight510.68 g/mol
Exact Mass510.19
IUPAC Name2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine
SMILESCCCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CCCC
InChIInChI=1S/C24H34N2O6S2/c1-5-7-17-33(27,28)24(34(29,30)18-8-6-2)23(25-19-9-13-21(31-3)14-10-19)26-20-11-15-22(32-4)16-12-20/h9-16,25-26H,5-8,17-18H2,1-4H3
InChIKeyORCBASHXNXMIFO-UHFFFAOYSA-N
XLogP4.78
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.68
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,2-bis(butylsulfonyl)-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(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine?
The IUPAC name of 2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine (CID 5337708) is 2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine.
What is the SMILES notation for 2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine?
The canonical SMILES for 2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine is CCCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CCCC.
What is the InChIKey of 2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine?
The InChIKey is ORCBASHXNXMIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6S2/c1-5-7-17-33(27,28)24(34(29,30)18-8-6-2)23(25-19-9-13-21(31-3)14-10-19)26-20-11-15-22(32-4)16-12-20/h9-16,25-26H,5-8,17-18H2,1-4H3.
What are the key properties of 2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine?
2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine has a molecular weight of 510.68 g/mol, XLogP of 4.78, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(butylsulfonyl)-1-N,1-N'-bis(4-methoxyphenyl)ethene-1,1-diamine is sourced from PubChem (CID 5337708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).