N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide

C24H26N2O6S — CID 4963340

IUPACN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C24H26N2O6S/c1-17-8-10-18(11-9-17)32-15-14-24(27)25-21-16-19(12-13-23(21)31-3)33(28,29)26-20-6-4-5-7-22(20)30-2/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyJZUDBMYDKRVXBV-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.22
Rot. Bonds10

About N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide

N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide (PubChem CID 4963340) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
PubChem CID4963340
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC NameN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C24H26N2O6S/c1-17-8-10-18(11-9-17)32-15-14-24(27)25-21-16-19(12-13-23(21)31-3)33(28,29)26-20-6-4-5-7-22(20)30-2/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyJZUDBMYDKRVXBV-UHFFFAOYSA-N
XLogP4.22
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide (CID 4963340) is N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CCOc1ccc(C)cc1.
What is the InChIKey of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is JZUDBMYDKRVXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-17-8-10-18(11-9-17)32-15-14-24(27)25-21-16-19(12-13-23(21)31-3)33(28,29)26-20-6-4-5-7-22(20)30-2/h4-13,16,26H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide?
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide has a molecular weight of 470.55 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 4963340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).