N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide

C19H24N2O6S — CID 8800569

IUPACN-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(OCCN(C)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1
InChIInChI=1S/C19H24N2O6S/c1-14(22)20-18-13-17(9-10-19(18)26-4)28(23,24)21(2)11-12-27-16-7-5-15(25-3)6-8-16/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyAGUNPDHLWVADSK-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.36
Rot. Bonds9

About N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide

N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide (PubChem CID 8800569) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
PubChem CID8800569
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC NameN-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(OCCN(C)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1
InChIInChI=1S/C19H24N2O6S/c1-14(22)20-18-13-17(9-10-19(18)26-4)28(23,24)21(2)11-12-27-16-7-5-15(25-3)6-8-16/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyAGUNPDHLWVADSK-UHFFFAOYSA-N
XLogP2.36
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide (CID 8800569) is N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide is COc1ccc(OCCN(C)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1.
What is the InChIKey of N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide?
The InChIKey is AGUNPDHLWVADSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-14(22)20-18-13-17(9-10-19(18)26-4)28(23,24)21(2)11-12-27-16-7-5-15(25-3)6-8-16/h5-10,13H,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide?
N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 8800569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).