2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide

C14H22N2O4S — CID 82917132

IUPAC2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(C)cc(C)cc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-5-6-16-14(17)11(4)20-13-10(3)7-9(2)8-12(13)21(15,18)19/h7-8,11H,5-6H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyMQKKUHIZXHDCAM-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.24
Rot. Bonds6

About 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide

2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide (PubChem CID 82917132) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide
PubChem CID82917132
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(C)cc(C)cc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-5-6-16-14(17)11(4)20-13-10(3)7-9(2)8-12(13)21(15,18)19/h7-8,11H,5-6H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyMQKKUHIZXHDCAM-UHFFFAOYSA-N
XLogP1.24
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propan-2-ylpropanamide
CID 82917914
2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide
CID 82914816
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703
2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
CID 165474374
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 82916982
[1-oxo-1-(propylamino)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169670
3,5-dibromo-4-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid
CID 107738460
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107738922
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
CID 43122445
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 79885689

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide?
The IUPAC name of 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide (CID 82917132) is 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide?
The canonical SMILES for 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide is CCCNC(=O)C(C)Oc1c(C)cc(C)cc1S(N)(=O)=O.
What is the InChIKey of 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide?
The InChIKey is MQKKUHIZXHDCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-6-16-14(17)11(4)20-13-10(3)7-9(2)8-12(13)21(15,18)19/h7-8,11H,5-6H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide?
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide is sourced from PubChem (CID 82917132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).