N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide

C13H20N2O4S — CID 82914364

IUPACN-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O4S/c1-3-4-7-15-13(16)9-19-11-5-6-12(10(2)8-11)20(14,17)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyYCTNPVCURCZKRE-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.94
Rot. Bonds7

About N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide

N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide (PubChem CID 82914364) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide
PubChem CID82914364
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O4S/c1-3-4-7-15-13(16)9-19-11-5-6-12(10(2)8-11)20(14,17)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyYCTNPVCURCZKRE-UHFFFAOYSA-N
XLogP0.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.94
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

N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82917921
5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid
CID 82165953
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
ethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]butanoate
CID 60624626
2-(4-bromo-3-fluorophenoxy)-N-butylacetamide
CID 63998462
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide
CID 82914816
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide (CID 82914364) is N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide is CCCCNC(=O)COc1ccc(S(N)(=O)=O)c(C)c1.
What is the InChIKey of N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide?
The InChIKey is YCTNPVCURCZKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-4-7-15-13(16)9-19-11-5-6-12(10(2)8-11)20(14,17)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide?
N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82914364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).