N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide

C22H24N2O6S — CID 18444679

IUPACN-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)N(C)C)oc3C)cc2)cc1
InChIInChI=1S/C22H24N2O6S/c1-15-18(13-21(30-15)22(25)23-31(26,27)24(2)3)14-29-20-11-7-17(8-12-20)16-5-9-19(28-4)10-6-16/h5-13H,14H2,1-4H3,(H,23,25)
InChIKeyZXISUMMENLENRP-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.38
Rot. Bonds8

About N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide

N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide (PubChem CID 18444679) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide
PubChem CID18444679
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC NameN-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)N(C)C)oc3C)cc2)cc1
InChIInChI=1S/C22H24N2O6S/c1-15-18(13-21(30-15)22(25)23-31(26,27)24(2)3)14-29-20-11-7-17(8-12-20)16-5-9-19(28-4)10-6-16/h5-13H,14H2,1-4H3,(H,23,25)
InChIKeyZXISUMMENLENRP-UHFFFAOYSA-N
XLogP3.38
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide (CID 18444679) is N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide is COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)N(C)C)oc3C)cc2)cc1.
What is the InChIKey of N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide?
The InChIKey is ZXISUMMENLENRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-15-18(13-21(30-15)22(25)23-31(26,27)24(2)3)14-29-20-11-7-17(8-12-20)16-5-9-19(28-4)10-6-16/h5-13H,14H2,1-4H3,(H,23,25).
What are the key properties of N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide?
N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 18444679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).