5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide

C20H25ClN2O4S — CID 55716374

IUPAC5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O4S/c1-14-8-9-17(28(25,26)23-20(2,3)4)13-18(14)19(24)22-10-11-27-16-7-5-6-15(21)12-16/h5-9,12-13,23H,10-11H2,1-4H3,(H,22,24)
InChIKeyJUUSGHSFWXPHEG-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.53
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide (PubChem CID 55716374) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
PubChem CID55716374
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O4S/c1-14-8-9-17(28(25,26)23-20(2,3)4)13-18(14)19(24)22-10-11-27-16-7-5-6-15(21)12-16/h5-9,12-13,23H,10-11H2,1-4H3,(H,22,24)
InChIKeyJUUSGHSFWXPHEG-UHFFFAOYSA-N
XLogP3.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.53
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

5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27859379
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113099484
5-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 31336695
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 60549183
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-methylsulfonylbenzamide
CID 55921133
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide (CID 55716374) is 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide?
The InChIKey is JUUSGHSFWXPHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-14-8-9-17(28(25,26)23-20(2,3)4)13-18(14)19(24)22-10-11-27-16-7-5-6-15(21)12-16/h5-9,12-13,23H,10-11H2,1-4H3,(H,22,24).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide has a molecular weight of 424.95 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide is sourced from PubChem (CID 55716374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).