N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide

C20H25ClN2O5S — CID 43035433

IUPACN-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCOc2cccc(Cl)c2)c1
InChIInChI=1S/C20H25ClN2O5S/c1-15-7-8-18(29(25,26)22-9-11-27-3)14-19(15)20(24)23(2)10-12-28-17-6-4-5-16(21)13-17/h4-8,13-14,22H,9-12H2,1-3H3
InChIKeyOSRKIFNPMQGZEL-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.72
Rot. Bonds10

About N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide

N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 43035433) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID43035433
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCOc2cccc(Cl)c2)c1
InChIInChI=1S/C20H25ClN2O5S/c1-15-7-8-18(29(25,26)22-9-11-27-3)14-19(15)20(24)23(2)10-12-28-17-6-4-5-16(21)13-17/h4-8,13-14,22H,9-12H2,1-3H3
InChIKeyOSRKIFNPMQGZEL-UHFFFAOYSA-N
XLogP2.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035449
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 24517235
4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113099484
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
CID 55716374
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide
CID 55440414
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43049204
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33321730

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide (CID 43035433) is N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCOc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is OSRKIFNPMQGZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-15-7-8-18(29(25,26)22-9-11-27-3)14-19(15)20(24)23(2)10-12-28-17-6-4-5-16(21)13-17/h4-8,13-14,22H,9-12H2,1-3H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide?
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 440.95 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 43035433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).