N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide

C21H28N2O4S — CID 8750734

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-6-11-23(4)28(25,26)20-9-7-18(8-10-20)22-21(24)15-27-19-13-16(2)12-17(3)14-19/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,22,24)
InChIKeyLZKIRMXWJDXWOZ-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.74
Rot. Bonds9

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 8750734) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID8750734
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-6-11-23(4)28(25,26)20-9-7-18(8-10-20)22-21(24)15-27-19-13-16(2)12-17(3)14-19/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,22,24)
InChIKeyLZKIRMXWJDXWOZ-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 7948733
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 9009711
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 9218220
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
pentyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19169104
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide (CID 8750734) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is LZKIRMXWJDXWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-6-11-23(4)28(25,26)20-9-7-18(8-10-20)22-21(24)15-27-19-13-16(2)12-17(3)14-19/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,22,24).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 8750734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).