3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C19H24N2O4S — CID 24818406

IUPAC3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-14-3-4-15(2)18(13-14)25-12-10-19(22)21-11-9-16-5-7-17(8-6-16)26(20,23)24/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyDXBHRMPYSRMDHQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.08
Rot. Bonds8

About 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 24818406) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID24818406
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-14-3-4-15(2)18(13-14)25-12-10-19(22)21-11-9-16-5-7-17(8-6-16)26(20,23)24/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyDXBHRMPYSRMDHQ-UHFFFAOYSA-N
XLogP2.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
CID 2970501
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 7935389
2-ethoxy-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2109980
(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 6249557
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7841727
3-(2,5-Dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7921207
N-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9366247
1-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one
CID 16229359
3-(4-tert-butylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 18158890
3-(2,5-Dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 24978752
N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 57412422

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 24818406) is 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is Cc1ccc(C)c(OCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is DXBHRMPYSRMDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-3-4-15(2)18(13-14)25-12-10-19(22)21-11-9-16-5-7-17(8-6-16)26(20,23)24/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H2,20,23,24).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 24818406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).