N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide

C13H20N2O4S — CID 62716850

IUPACN-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-3-7-19-8-6-13(16)15-11-5-4-10(2)12(9-11)20(14,17)18/h4-5,9H,3,6-8H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeySHNUFVYBUHVWGG-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.40
Rot. Bonds7

About N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide

N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide (PubChem CID 62716850) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
PubChem CID62716850
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-3-7-19-8-6-13(16)15-11-5-4-10(2)12(9-11)20(14,17)18/h4-5,9H,3,6-8H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeySHNUFVYBUHVWGG-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140975
3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141287
N-(3-amino-4-ethylphenyl)-3-propoxypropanamide
CID 62688579
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide
CID 38736892
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140977
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-propoxypropanamide
CID 62715474
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
2-bromo-5-(3-propoxypropanoylamino)benzoic acid
CID 113281067

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide (CID 62716850) is N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide?
The InChIKey is SHNUFVYBUHVWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-7-19-8-6-13(16)15-11-5-4-10(2)12(9-11)20(14,17)18/h4-5,9H,3,6-8H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide?
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide has a molecular weight of 300.38 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide is sourced from PubChem (CID 62716850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).