5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C22H17BrN4O5S — CID 19413497

IUPAC5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C22H17BrN4O5S/c23-15-2-6-17(7-3-15)31-14-18-8-11-20(32-18)21(28)26-16-4-9-19(10-5-16)33(29,30)27-22-24-12-1-13-25-22/h1-13H,14H2,(H,26,28)(H,24,25,27)
InChIKeyHCTCUHDIDFTERE-UHFFFAOYSA-N
MW529.37 g/mol
LogP4.46
Rot. Bonds8

About 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 19413497) has the molecular formula C22H17BrN4O5S and a molecular weight of 529.37 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID19413497
Molecular FormulaC22H17BrN4O5S
Molecular Weight529.37 g/mol
Exact Mass528.01
IUPAC Name5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C22H17BrN4O5S/c23-15-2-6-17(7-3-15)31-14-18-8-11-20(32-18)21(28)26-16-4-9-19(10-5-16)33(29,30)27-22-24-12-1-13-25-22/h1-13H,14H2,(H,26,28)(H,24,25,27)
InChIKeyHCTCUHDIDFTERE-UHFFFAOYSA-N
XLogP4.46
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.37
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-chlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413705
methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448991
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416979
5-[(3-methyl-4-nitrophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19461593
5-(naphthalen-1-yloxymethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19412861
5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19456853
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446559
[4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4748328
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465565
5-[(3,4-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 19450760
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 36706973
5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19455196

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 19413497) is 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(Br)cc2)o1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is HCTCUHDIDFTERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O5S/c23-15-2-6-17(7-3-15)31-14-18-8-11-20(32-18)21(28)26-16-4-9-19(10-5-16)33(29,30)27-22-24-12-1-13-25-22/h1-13H,14H2,(H,26,28)(H,24,25,27).
What are the key properties of 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 529.37 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19413497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).