N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide

C26H30N2O4S — CID 26891804

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O4S/c1-4-28(5-2)33(30,31)22-17-18-24(32-6-3)23(19-22)27-26(29)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19,25H,4-6H2,1-3H3,(H,27,29)
InChIKeyXQQCHIYNWZGYJS-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.89
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide (PubChem CID 26891804) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide
PubChem CID26891804
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O4S/c1-4-28(5-2)33(30,31)22-17-18-24(32-6-3)23(19-22)27-26(29)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19,25H,4-6H2,1-3H3,(H,27,29)
InChIKeyXQQCHIYNWZGYJS-UHFFFAOYSA-N
XLogP4.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide (CID 26891804) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide?
The InChIKey is XQQCHIYNWZGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-28(5-2)33(30,31)22-17-18-24(32-6-3)23(19-22)27-26(29)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19,25H,4-6H2,1-3H3,(H,27,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide has a molecular weight of 466.60 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 26891804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).