3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C18H22N2O6S2 — CID 3244147

IUPAC3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O6S2/c1-26-15-4-8-16(9-5-15)27(22,23)13-11-18(21)20-12-10-14-2-6-17(7-3-14)28(19,24)25/h2-9H,10-13H2,1H3,(H,20,21)(H2,19,24,25)
InChIKeyMASDDRSYEBGXIS-UHFFFAOYSA-N
MW426.52 g/mol
LogP0.87
Rot. Bonds9

About 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 3244147) has the molecular formula C18H22N2O6S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID3244147
Molecular FormulaC18H22N2O6S2
Molecular Weight426.52 g/mol
Exact Mass426.09
IUPAC Name3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O6S2/c1-26-15-4-8-16(9-5-15)27(22,23)13-11-18(21)20-12-10-14-2-6-17(7-3-14)28(19,24)25/h2-9H,10-13H2,1H3,(H,20,21)(H2,19,24,25)
InChIKeyMASDDRSYEBGXIS-UHFFFAOYSA-N
XLogP0.87
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 3244147) is 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is COc1ccc(S(=O)(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is MASDDRSYEBGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S2/c1-26-15-4-8-16(9-5-15)27(22,23)13-11-18(21)20-12-10-14-2-6-17(7-3-14)28(19,24)25/h2-9H,10-13H2,1H3,(H,20,21)(H2,19,24,25).
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 426.52 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 3244147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).