N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide

C20H26N2O4S — CID 109063589

IUPACN-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H26N2O4S/c1-20(2,3)17-10-5-6-11-18(17)22-19(23)15-8-7-9-16(14-15)27(24,25)21-12-13-26-4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyWHUXFCWFNGIOSC-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.16
Rot. Bonds7

About N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide

N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 109063589) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID109063589
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H26N2O4S/c1-20(2,3)17-10-5-6-11-18(17)22-19(23)15-8-7-9-16(14-15)27(24,25)21-12-13-26-4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyWHUXFCWFNGIOSC-UHFFFAOYSA-N
XLogP3.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.16
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

3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052583
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063596
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063792
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 46581552
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55981731

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide (CID 109063589) is N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is WHUXFCWFNGIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-20(2,3)17-10-5-6-11-18(17)22-19(23)15-8-7-9-16(14-15)27(24,25)21-12-13-26-4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23).
What are the key properties of N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 109063589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).