N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide

C18H22N2O5S — CID 2122221

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H22N2O5S/c1-4-24-16-7-5-6-8-17(16)25-13-18(21)19-14-9-11-15(12-10-14)26(22,23)20(2)3/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyAWTSBIQBPVMWIT-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.35
Rot. Bonds8

About N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 2122221) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide
PubChem CID2122221
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H22N2O5S/c1-4-24-16-7-5-6-8-17(16)25-13-18(21)19-14-9-11-15(12-10-14)26(22,23)20(2)3/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyAWTSBIQBPVMWIT-UHFFFAOYSA-N
XLogP2.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide (CID 2122221) is N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is AWTSBIQBPVMWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-4-24-16-7-5-6-8-17(16)25-13-18(21)19-14-9-11-15(12-10-14)26(22,23)20(2)3/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 2122221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).