2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide

C14H22N2O4S — CID 38427451

IUPAC2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C14H22N2O4S/c1-4-21(18,19)16-8-7-15-14(17)10-20-13-6-5-11(2)9-12(13)3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,15,17)
InChIKeyRWLABQZNNDBRIZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.74
Rot. Bonds8

About 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide

2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide (PubChem CID 38427451) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
PubChem CID38427451
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C14H22N2O4S/c1-4-21(18,19)16-8-7-15-14(17)10-20-13-6-5-11(2)9-12(13)3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,15,17)
InChIKeyRWLABQZNNDBRIZ-UHFFFAOYSA-N
XLogP0.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.74
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-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108571580
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108539406
2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572838

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide (CID 38427451) is 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide is CCS(=O)(=O)NCCNC(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The InChIKey is RWLABQZNNDBRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-21(18,19)16-8-7-15-14(17)10-20-13-6-5-11(2)9-12(13)3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,15,17).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 38427451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).