2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide

C20H24Cl2N2O5S — CID 3593320

IUPAC2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H24Cl2N2O5S/c1-5-24(6-2)30(26,27)15-8-10-19(28-4)17(12-15)23-20(25)13(3)29-18-9-7-14(21)11-16(18)22/h7-13H,5-6H2,1-4H3,(H,23,25)
InChIKeySCGVFAJQHBRZEU-UHFFFAOYSA-N
MW475.39 g/mol
LogP4.44
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide

2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 3593320) has the molecular formula C20H24Cl2N2O5S and a molecular weight of 475.39 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID3593320
Molecular FormulaC20H24Cl2N2O5S
Molecular Weight475.39 g/mol
Exact Mass474.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H24Cl2N2O5S/c1-5-24(6-2)30(26,27)15-8-10-19(28-4)17(12-15)23-20(25)13(3)29-18-9-7-14(21)11-16(18)22/h7-13H,5-6H2,1-4H3,(H,23,25)
InChIKeySCGVFAJQHBRZEU-UHFFFAOYSA-N
XLogP4.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 3593320) is 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is SCGVFAJQHBRZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O5S/c1-5-24(6-2)30(26,27)15-8-10-19(28-4)17(12-15)23-20(25)13(3)29-18-9-7-14(21)11-16(18)22/h7-13H,5-6H2,1-4H3,(H,23,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 475.39 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 3593320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).