2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide

C13H20N2O4S — CID 36904254

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCNS(C)(=O)=O)cc1C
InChIInChI=1S/C13H20N2O4S/c1-10-4-5-12(8-11(10)2)19-9-13(16)14-6-7-15-20(3,17)18/h4-5,8,15H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyFVEWUBPKNSRVJN-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.35
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 36904254) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID36904254
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCNS(C)(=O)=O)cc1C
InChIInChI=1S/C13H20N2O4S/c1-10-4-5-12(8-11(10)2)19-9-13(16)14-6-7-15-20(3,17)18/h4-5,8,15H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyFVEWUBPKNSRVJN-UHFFFAOYSA-N
XLogP0.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.35
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-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108572656
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-[4-(aminomethyl)phenoxy]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 43545869
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572636
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572497
2-(3,4-dimethylphenoxy)-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541272
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide (CID 36904254) is 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide is Cc1ccc(OCC(=O)NCCNS(C)(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is FVEWUBPKNSRVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-4-5-12(8-11(10)2)19-9-13(16)14-6-7-15-20(3,17)18/h4-5,8,15H,6-7,9H2,1-3H3,(H,14,16).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 36904254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).