4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid

C24H24N2O7S — CID 4848457

IUPAC4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2cc(C(=O)O)ccc2OC)cc1
InChIInChI=1S/C24H24N2O7S/c1-32-18-10-7-16(8-11-18)13-14-25-23(27)19-5-3-4-6-20(19)26-34(30,31)22-15-17(24(28)29)9-12-21(22)33-2/h3-12,15,26H,13-14H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyWALKFJMRYFZREB-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.18
Rot. Bonds10

About 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid

4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid (PubChem CID 4848457) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid
PubChem CID4848457
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Name4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2cc(C(=O)O)ccc2OC)cc1
InChIInChI=1S/C24H24N2O7S/c1-32-18-10-7-16(8-11-18)13-14-25-23(27)19-5-3-4-6-20(19)26-34(30,31)22-15-17(24(28)29)9-12-21(22)33-2/h3-12,15,26H,13-14H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyWALKFJMRYFZREB-UHFFFAOYSA-N
XLogP3.18
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid (CID 4848457) is 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid is COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2cc(C(=O)O)ccc2OC)cc1.
What is the InChIKey of 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid?
The InChIKey is WALKFJMRYFZREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-32-18-10-7-16(8-11-18)13-14-25-23(27)19-5-3-4-6-20(19)26-34(30,31)22-15-17(24(28)29)9-12-21(22)33-2/h3-12,15,26H,13-14H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid?
4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid has a molecular weight of 484.53 g/mol, XLogP of 3.18, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 4848457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).