N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide

C20H26N2O4S — CID 8510926

IUPACN-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H26N2O4S/c1-4-5-9-21-27(24,25)19-8-6-7-17(13-19)22-20(23)14-26-18-11-15(2)10-16(3)12-18/h6-8,10-13,21H,4-5,9,14H2,1-3H3,(H,22,23)
InChIKeyKIRBRCORZYOLJC-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.40
Rot. Bonds9

About N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide

N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 8510926) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID8510926
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H26N2O4S/c1-4-5-9-21-27(24,25)19-8-6-7-17(13-19)22-20(23)14-26-18-11-15(2)10-16(3)12-18/h6-8,10-13,21H,4-5,9,14H2,1-3H3,(H,22,23)
InChIKeyKIRBRCORZYOLJC-UHFFFAOYSA-N
XLogP3.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
CID 17482935
N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17196871
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 4046445
N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24513463
N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 17419461
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8750734
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide (CID 8510926) is N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide is CCCCNS(=O)(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is KIRBRCORZYOLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-5-9-21-27(24,25)19-8-6-7-17(13-19)22-20(23)14-26-18-11-15(2)10-16(3)12-18/h6-8,10-13,21H,4-5,9,14H2,1-3H3,(H,22,23).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide?
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 8510926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).