N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C19H24N2O4S — CID 2423238

IUPACN-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)20-18(22)14-10-12-15(13-11-14)26(23,24)21(4)16-8-6-7-9-17(16)25-5/h6-13H,1-5H3,(H,20,22)
InChIKeyWHRORVJXAIYEPN-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.05
Rot. Bonds5

About N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 2423238) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID2423238
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)20-18(22)14-10-12-15(13-11-14)26(23,24)21(4)16-8-6-7-9-17(16)25-5/h6-13H,1-5H3,(H,20,22)
InChIKeyWHRORVJXAIYEPN-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 2423238) is N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is WHRORVJXAIYEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)20-18(22)14-10-12-15(13-11-14)26(23,24)21(4)16-8-6-7-9-17(16)25-5/h6-13H,1-5H3,(H,20,22).
What are the key properties of N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2423238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).