5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide

C25H24N2O6S — CID 21046046

IUPAC5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1cccc2c(NC(=O)c3ccc(Cc4cc(OC)ccc4OC)o3)cccc12
InChIInChI=1S/C25H24N2O6S/c1-26-34(29,30)24-9-5-6-19-20(24)7-4-8-21(19)27-25(28)23-13-11-18(33-23)15-16-14-17(31-2)10-12-22(16)32-3/h4-14,26H,15H2,1-3H3,(H,27,28)
InChIKeyPIYNLIDYJHMMCV-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.20
Rot. Bonds8

About 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide

5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide (PubChem CID 21046046) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide
PubChem CID21046046
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Name5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1cccc2c(NC(=O)c3ccc(Cc4cc(OC)ccc4OC)o3)cccc12
InChIInChI=1S/C25H24N2O6S/c1-26-34(29,30)24-9-5-6-19-20(24)7-4-8-21(19)27-25(28)23-13-11-18(33-23)15-16-14-17(31-2)10-12-22(16)32-3/h4-14,26H,15H2,1-3H3,(H,27,28)
InChIKeyPIYNLIDYJHMMCV-UHFFFAOYSA-N
XLogP4.20
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
N-(2-carbamoylphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047265
N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047625
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655
5-[(2,5-dimethoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)furan-2-carboxamide
CID 21045991
N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047813
N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048194
5-[(2,5-dimethoxyphenyl)methyl]-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 21045924
5-[(2,5-dimethoxyphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 21045963
5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046228
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide
CID 21046909

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide (CID 21046046) is 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide is CNS(=O)(=O)c1cccc2c(NC(=O)c3ccc(Cc4cc(OC)ccc4OC)o3)cccc12.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide?
The InChIKey is PIYNLIDYJHMMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-26-34(29,30)24-9-5-6-19-20(24)7-4-8-21(19)27-25(28)23-13-11-18(33-23)15-16-14-17(31-2)10-12-22(16)32-3/h4-14,26H,15H2,1-3H3,(H,27,28).
What are the key properties of 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide?
5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide is sourced from PubChem (CID 21046046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).