2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide

C18H20Cl2N2O4S — CID 108572838

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C18H20Cl2N2O4S/c1-12-3-6-17(13(2)9-12)27(24,25)22-8-7-21-18(23)11-26-16-5-4-14(19)10-15(16)20/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyLMIBTWBDNICBTC-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.08
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 108572838) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID108572838
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C18H20Cl2N2O4S/c1-12-3-6-17(13(2)9-12)27(24,25)22-8-7-21-18(23)11-26-16-5-4-14(19)10-15(16)20/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyLMIBTWBDNICBTC-UHFFFAOYSA-N
XLogP3.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.08
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

2-(2,4-dichlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572836
2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 108572839
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 38427451
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113068036
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 108572463
N-(5-chloro-2-methylphenyl)-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998040

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 108572838) is 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide is Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is LMIBTWBDNICBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-12-3-6-17(13(2)9-12)27(24,25)22-8-7-21-18(23)11-26-16-5-4-14(19)10-15(16)20/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 431.34 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 108572838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).