N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide

C13H20N2O4S — CID 110315366

IUPACN-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide
SMILESCCC(=O)NCCOc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C13H20N2O4S/c1-4-13(16)15-5-6-19-11-7-10(3)12(8-9(11)2)20(14,17)18/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyVOASJZXKXYCBDN-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.86
Rot. Bonds6

About N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide

N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide (PubChem CID 110315366) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide
PubChem CID110315366
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide
SMILESCCC(=O)NCCOc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C13H20N2O4S/c1-4-13(16)15-5-6-19-11-7-10(3)12(8-9(11)2)20(14,17)18/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyVOASJZXKXYCBDN-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide
CID 110315369
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254
4-but-2-ynoxy-2,5-dimethylbenzenesulfonamide
CID 82912944
N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82917921
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528545
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide
CID 82912061
2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101233
2,5-dimethyl-4-propoxybenzenesulfonyl chloride
CID 43134395

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide?
The IUPAC name of N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide (CID 110315366) is N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide?
The canonical SMILES for N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide is CCC(=O)NCCOc1cc(C)c(S(N)(=O)=O)cc1C.
What is the InChIKey of N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide?
The InChIKey is VOASJZXKXYCBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-13(16)15-5-6-19-11-7-10(3)12(8-9(11)2)20(14,17)18/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide?
N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide is sourced from PubChem (CID 110315366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).