2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide

C13H15Cl2NO4S — CID 147530715

IUPAC2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide
SMILESC=CS(=O)(=O)CCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-2-21(18,19)7-3-6-16-13(17)9-20-12-5-4-10(14)8-11(12)15/h2,4-5,8H,1,3,6-7,9H2,(H,16,17)
InChIKeyFMZCHTKTRAPPKC-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.44
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide

2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide (PubChem CID 147530715) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide
PubChem CID147530715
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide
SMILESC=CS(=O)(=O)CCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-2-21(18,19)7-3-6-16-13(17)9-20-12-5-4-10(14)8-11(12)15/h2,4-5,8H,1,3,6-7,9H2,(H,16,17)
InChIKeyFMZCHTKTRAPPKC-UHFFFAOYSA-N
XLogP2.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
CID 68958426
N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
CID 14751497
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
CID 60550353
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide (CID 147530715) is 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide is C=CS(=O)(=O)CCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide?
The InChIKey is FMZCHTKTRAPPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c1-2-21(18,19)7-3-6-16-13(17)9-20-12-5-4-10(14)8-11(12)15/h2,4-5,8H,1,3,6-7,9H2,(H,16,17).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide has a molecular weight of 352.24 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide is sourced from PubChem (CID 147530715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).