4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide

C14H19Cl2NO4S — CID 60550353

IUPAC4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
SMILESCS(=O)(=O)CCCNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO4S/c1-22(19,20)9-3-7-17-14(18)4-2-8-21-13-6-5-11(15)10-12(13)16/h5-6,10H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyHCFSEGCUGLSOGL-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.70
Rot. Bonds9

About 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide

4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide (PubChem CID 60550353) has the molecular formula C14H19Cl2NO4S and a molecular weight of 368.28 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
PubChem CID60550353
Molecular FormulaC14H19Cl2NO4S
Molecular Weight368.28 g/mol
Exact Mass367.04
IUPAC Name4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
SMILESCS(=O)(=O)CCCNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO4S/c1-22(19,20)9-3-7-17-14(18)4-2-8-21-13-6-5-11(15)10-12(13)16/h5-6,10H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyHCFSEGCUGLSOGL-UHFFFAOYSA-N
XLogP2.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.70
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

4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide
CID 17143014
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide
CID 147530715
4-(2,4-dichlorophenoxy)-N-(heptylcarbamothioyl)butanamide
CID 3253432
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide (CID 60550353) is 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide is CS(=O)(=O)CCCNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide?
The InChIKey is HCFSEGCUGLSOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO4S/c1-22(19,20)9-3-7-17-14(18)4-2-8-21-13-6-5-11(15)10-12(13)16/h5-6,10H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide has a molecular weight of 368.28 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide is sourced from PubChem (CID 60550353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).