N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

C21H28N2O5S — CID 24584207

IUPACN-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C21H28N2O5S/c1-21(2,3)16-8-11-19(28-5)18(14-16)23-20(24)15-6-9-17(10-7-15)29(25,26)22-12-13-27-4/h6-11,14,22H,12-13H2,1-5H3,(H,23,24)
InChIKeyDSAPLGGTNDLUAB-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.17
Rot. Bonds8

About N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 24584207) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID24584207
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C21H28N2O5S/c1-21(2,3)16-8-11-19(28-5)18(14-16)23-20(24)15-6-9-17(10-7-15)29(25,26)22-12-13-27-4/h6-11,14,22H,12-13H2,1-5H3,(H,23,24)
InChIKeyDSAPLGGTNDLUAB-UHFFFAOYSA-N
XLogP3.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 55524220
N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8801525
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
tert-butyl N-[2-methoxy-5-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55654585
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058971
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063589
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063596
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 119522966

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 24584207) is N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is DSAPLGGTNDLUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-21(2,3)16-8-11-19(28-5)18(14-16)23-20(24)15-6-9-17(10-7-15)29(25,26)22-12-13-27-4/h6-11,14,22H,12-13H2,1-5H3,(H,23,24).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 420.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 24584207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).