3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C19H24N2O4S — CID 18160079

IUPAC3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-13-4-5-14(2)18(12-13)25-11-10-19(22)21-15(3)16-6-8-17(9-7-16)26(20,23)24/h4-9,12,15H,10-11H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyFXESCBFPFDLTRY-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.60
Rot. Bonds7

About 3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 18160079) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID18160079
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-13-4-5-14(2)18(12-13)25-11-10-19(22)21-15(3)16-6-8-17(9-7-16)26(20,23)24/h4-9,12,15H,10-11H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyFXESCBFPFDLTRY-UHFFFAOYSA-N
XLogP2.60
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608
2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 34662548
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
(2S,3R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]-3-hydroxybutanoic acid
CID 104964545
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9335831
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51276671
3-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-N-(1-phenylethyl)propanamide
CID 42883601
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8695736
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8805833
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide
CID 55338890
5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide
CID 48664800

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 18160079) is 3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is Cc1ccc(C)c(OCCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is FXESCBFPFDLTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-4-5-14(2)18(12-13)25-11-10-19(22)21-15(3)16-6-8-17(9-7-16)26(20,23)24/h4-9,12,15H,10-11H2,1-3H3,(H,21,22)(H2,20,23,24).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.60, 7 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-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 18160079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).