5-(tert-butylsulfamoyl)-2-methoxybenzamide

C12H18N2O4S — CID 42562024

IUPAC5-(tert-butylsulfamoyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(N)=O
InChIInChI=1S/C12H18N2O4S/c1-12(2,3)14-19(16,17)8-5-6-10(18-4)9(7-8)11(13)15/h5-7,14H,1-4H3,(H2,13,15)
InChIKeyLWKNVGFYNYLEIH-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.87
Rot. Bonds4

About 5-(tert-butylsulfamoyl)-2-methoxybenzamide

5-(tert-butylsulfamoyl)-2-methoxybenzamide (PubChem CID 42562024) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-2-methoxybenzamide
PubChem CID42562024
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-(tert-butylsulfamoyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(N)=O
InChIInChI=1S/C12H18N2O4S/c1-12(2,3)14-19(16,17)8-5-6-10(18-4)9(7-8)11(13)15/h5-7,14H,1-4H3,(H2,13,15)
InChIKeyLWKNVGFYNYLEIH-UHFFFAOYSA-N
XLogP0.87
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(tert-butylsulfamoyl)-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide
CID 119984979
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide
CID 47085140
5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
CID 26414248
N-tert-butyl-3-formyl-4-methoxybenzenesulfonamide
CID 22007151
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
5-[(2-chlorophenyl)methylsulfamoyl]-2-methoxybenzamide
CID 34029898
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-2-methoxybenzamide (CID 42562024) is 5-(tert-butylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(N)=O.
What is the InChIKey of 5-(tert-butylsulfamoyl)-2-methoxybenzamide?
The InChIKey is LWKNVGFYNYLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-12(2,3)14-19(16,17)8-5-6-10(18-4)9(7-8)11(13)15/h5-7,14H,1-4H3,(H2,13,15).
What are the key properties of 5-(tert-butylsulfamoyl)-2-methoxybenzamide?
5-(tert-butylsulfamoyl)-2-methoxybenzamide has a molecular weight of 286.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 42562024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).