5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C22H24N2O5S — CID 36706973

IUPAC5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)o2)cc1
InChIInChI=1S/C22H24N2O5S/c1-15(2)24-30(26,27)20-11-6-17(7-12-20)23-22(25)21-13-10-19(29-21)14-28-18-8-4-16(3)5-9-18/h4-13,15,24H,14H2,1-3H3,(H,23,25)
InChIKeyHUYFNJAVIICUKW-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.11
Rot. Bonds8

About 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 36706973) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID36706973
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)o2)cc1
InChIInChI=1S/C22H24N2O5S/c1-15(2)24-30(26,27)20-11-6-17(7-12-20)23-22(25)21-13-10-19(29-21)14-28-18-8-4-16(3)5-9-18/h4-13,15,24H,14H2,1-3H3,(H,23,25)
InChIKeyHUYFNJAVIICUKW-UHFFFAOYSA-N
XLogP4.11
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446559
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413497
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
4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide
CID 42999187
5-[(3,4-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 19450760
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465565
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19450467
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 36706973) is 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)o2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is HUYFNJAVIICUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-15(2)24-30(26,27)20-11-6-17(7-12-20)23-22(25)21-13-10-19(29-21)14-28-18-8-4-16(3)5-9-18/h4-13,15,24H,14H2,1-3H3,(H,23,25).
What are the key properties of 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 36706973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).