2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

C19H24N2O4S — CID 166187865

IUPAC2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)c(C)c1
InChIInChI=1S/C19H24N2O4S/c1-13-8-9-18(14(2)10-13)25-12-19(22)21(4)15(3)16-6-5-7-17(11-16)26(20,23)24/h5-11,15H,12H2,1-4H3,(H2,20,23,24)
InChIKeyBAASVQDFBNPFHG-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.55
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (PubChem CID 166187865) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
PubChem CID166187865
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)c(C)c1
InChIInChI=1S/C19H24N2O4S/c1-13-8-9-18(14(2)10-13)25-12-19(22)21(4)15(3)16-6-5-7-17(11-16)26(20,23)24/h5-11,15H,12H2,1-4H3,(H2,20,23,24)
InChIKeyBAASVQDFBNPFHG-UHFFFAOYSA-N
XLogP2.55
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119583890
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
2-(2,4-dimethylphenoxy)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 26422306
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 95342586
N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 8564408
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51292168
(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 95333326
N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 95336916
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9335831
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (CID 166187865) is 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is Cc1ccc(OCC(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is BAASVQDFBNPFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-8-9-18(14(2)10-13)25-12-19(22)21(4)15(3)16-6-5-7-17(11-16)26(20,23)24/h5-11,15H,12H2,1-4H3,(H2,20,23,24).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 166187865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).