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

C22H30N2O6S2 — CID 2297690

IUPAC1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine
SMILESCCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CCC
InChIInChI=1S/C22H30N2O6S2/c1-5-15-31(25,26)22(32(27,28)16-6-2)21(23-17-7-11-19(29-3)12-8-17)24-18-9-13-20(30-4)14-10-18/h7-14,23-24H,5-6,15-16H2,1-4H3
InChIKeyNXHNYTMBKZAILR-UHFFFAOYSA-N
MW482.62 g/mol
LogP4.00
Rot. Bonds12

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

1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine (PubChem CID 2297690) has the molecular formula C22H30N2O6S2 and a molecular weight of 482.62 g/mol. Its IUPAC name is 1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine
PubChem CID2297690
Molecular FormulaC22H30N2O6S2
Molecular Weight482.62 g/mol
Exact Mass482.15
IUPAC Name1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine
SMILESCCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CCC
InChIInChI=1S/C22H30N2O6S2/c1-5-15-31(25,26)22(32(27,28)16-6-2)21(23-17-7-11-19(29-3)12-8-17)24-18-9-13-20(30-4)14-10-18/h7-14,23-24H,5-6,15-16H2,1-4H3
InChIKeyNXHNYTMBKZAILR-UHFFFAOYSA-N
XLogP4.00
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine (CID 2297690) is 1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine is CCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CCC.
What is the InChIKey of 1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine?
The InChIKey is NXHNYTMBKZAILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S2/c1-5-15-31(25,26)22(32(27,28)16-6-2)21(23-17-7-11-19(29-3)12-8-17)24-18-9-13-20(30-4)14-10-18/h7-14,23-24H,5-6,15-16H2,1-4H3.
What are the key properties of 1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine?
1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine has a molecular weight of 482.62 g/mol, XLogP of 4.00, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(propylsulfonyl)ethene-1,1-diamine is sourced from PubChem (CID 2297690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).