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

C13H20N2O5S — CID 82917921

IUPACN-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide
SMILESCOCCCNC(=O)COc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O5S/c1-10-8-11(4-5-12(10)21(14,17)18)20-9-13(16)15-6-3-7-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyLPJIWWJEBKUBRA-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.17
Rot. Bonds8

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

N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide (PubChem CID 82917921) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide
PubChem CID82917921
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide
SMILESCOCCCNC(=O)COc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O5S/c1-10-8-11(4-5-12(10)21(14,17)18)20-9-13(16)15-6-3-7-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyLPJIWWJEBKUBRA-UHFFFAOYSA-N
XLogP0.17
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82914364
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027
N-(3-methoxypropyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104986087
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82913296
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 110407721
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide (CID 82917921) is N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide is COCCCNC(=O)COc1ccc(S(N)(=O)=O)c(C)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide?
The InChIKey is LPJIWWJEBKUBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-10-8-11(4-5-12(10)21(14,17)18)20-9-13(16)15-6-3-7-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide?
N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide has a molecular weight of 316.38 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82917921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).