2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide

C13H20N2O4S — CID 82914816

IUPAC2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O4S/c1-4-7-15-13(16)10(3)19-11-5-6-12(9(2)8-11)20(14,17)18/h5-6,8,10H,4,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyNZGZHJPPSJENRN-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.94
Rot. Bonds6

About 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide

2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide (PubChem CID 82914816) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide
PubChem CID82914816
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O4S/c1-4-7-15-13(16)10(3)19-11-5-6-12(9(2)8-11)20(14,17)18/h5-6,8,10H,4,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyNZGZHJPPSJENRN-UHFFFAOYSA-N
XLogP0.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

2-(3-methyl-4-sulfamoylphenoxy)propanamide
CID 82915497
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide
CID 82917132
2-(3-hydroxyphenoxy)-N-propylpropanamide
CID 43143504
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802
2-methyl-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82915575
N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82914364
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide
CID 82915807
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide?
The IUPAC name of 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide (CID 82914816) is 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide.
What is the SMILES notation for 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide?
The canonical SMILES for 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(S(N)(=O)=O)c(C)c1.
What is the InChIKey of 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide?
The InChIKey is NZGZHJPPSJENRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-7-15-13(16)10(3)19-11-5-6-12(9(2)8-11)20(14,17)18/h5-6,8,10H,4,7H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide?
2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide is sourced from PubChem (CID 82914816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).