2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine

C18H25N3O6S2 — CID 12781216

IUPAC2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine
SMILESCOc1ccccc1CCNS(=O)(=O)NS(=O)(=O)NCCc1ccccc1OC
InChIInChI=1S/C18H25N3O6S2/c1-26-17-9-5-3-7-15(17)11-13-19-28(22,23)21-29(24,25)20-14-12-16-8-4-6-10-18(16)27-2/h3-10,19-21H,11-14H2,1-2H3
InChIKeyLHAPXWVDTCMJKQ-UHFFFAOYSA-N
MW443.55 g/mol
LogP0.75
Rot. Bonds12

About 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine

2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine (PubChem CID 12781216) has the molecular formula C18H25N3O6S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine
PubChem CID12781216
Molecular FormulaC18H25N3O6S2
Molecular Weight443.55 g/mol
Exact Mass443.12
IUPAC Name2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine
SMILESCOc1ccccc1CCNS(=O)(=O)NS(=O)(=O)NCCc1ccccc1OC
InChIInChI=1S/C18H25N3O6S2/c1-26-17-9-5-3-7-15(17)11-13-19-28(22,23)21-29(24,25)20-14-12-16-8-4-6-10-18(16)27-2/h3-10,19-21H,11-14H2,1-2H3
InChIKeyLHAPXWVDTCMJKQ-UHFFFAOYSA-N
XLogP0.75
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine (CID 12781216) is 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine is COc1ccccc1CCNS(=O)(=O)NS(=O)(=O)NCCc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine?
The InChIKey is LHAPXWVDTCMJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6S2/c1-26-17-9-5-3-7-15(17)11-13-19-28(22,23)21-29(24,25)20-14-12-16-8-4-6-10-18(16)27-2/h3-10,19-21H,11-14H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine?
2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine has a molecular weight of 443.55 g/mol, XLogP of 0.75, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine is sourced from PubChem (CID 12781216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).