N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide

C16H19BrN2O4S — CID 38703983

IUPACN-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c(Br)c1
InChIInChI=1S/C16H19BrN2O4S/c1-10-5-6-12(11(17)9-10)18-15(20)13-7-8-14(23-13)24(21,22)19-16(2,3)4/h5-9,19H,1-4H3,(H,18,20)
InChIKeyRJQZRTKERZUQIH-UHFFFAOYSA-N
MW415.31 g/mol
LogP3.68
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide

N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide (PubChem CID 38703983) has the molecular formula C16H19BrN2O4S and a molecular weight of 415.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
PubChem CID38703983
Molecular FormulaC16H19BrN2O4S
Molecular Weight415.31 g/mol
Exact Mass414.02
IUPAC NameN-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c(Br)c1
InChIInChI=1S/C16H19BrN2O4S/c1-10-5-6-12(11(17)9-10)18-15(20)13-7-8-14(23-13)24(21,22)19-16(2,3)4/h5-9,19H,1-4H3,(H,18,20)
InChIKeyRJQZRTKERZUQIH-UHFFFAOYSA-N
XLogP3.68
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide (CID 38703983) is N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide?
The InChIKey is RJQZRTKERZUQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O4S/c1-10-5-6-12(11(17)9-10)18-15(20)13-7-8-14(23-13)24(21,22)19-16(2,3)4/h5-9,19H,1-4H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide?
N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide has a molecular weight of 415.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 38703983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).