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

C23H25NO6S — CID 58824196

IUPAC4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC)cc3)cc2)c(C)o1
InChIInChI=1S/C23H25NO6S/c1-4-13-31(26,27)24-23(25)22-14-19(16(2)30-22)15-29-21-11-7-18(8-12-21)17-5-9-20(28-3)10-6-17/h5-12,14H,4,13,15H2,1-3H3,(H,24,25)
InChIKeyRWRSWFAJDQNKLU-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.31
Rot. Bonds9

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

4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide (PubChem CID 58824196) has the molecular formula C23H25NO6S and a molecular weight of 443.52 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide
PubChem CID58824196
Molecular FormulaC23H25NO6S
Molecular Weight443.52 g/mol
Exact Mass443.14
IUPAC Name4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC)cc3)cc2)c(C)o1
InChIInChI=1S/C23H25NO6S/c1-4-13-31(26,27)24-23(25)22-14-19(16(2)30-22)15-29-21-11-7-18(8-12-21)17-5-9-20(28-3)10-6-17/h5-12,14H,4,13,15H2,1-3H3,(H,24,25)
InChIKeyRWRSWFAJDQNKLU-UHFFFAOYSA-N
XLogP4.31
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide (CID 58824196) is 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide is CCCS(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC)cc3)cc2)c(C)o1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide?
The InChIKey is RWRSWFAJDQNKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6S/c1-4-13-31(26,27)24-23(25)22-14-19(16(2)30-22)15-29-21-11-7-18(8-12-21)17-5-9-20(28-3)10-6-17/h5-12,14H,4,13,15H2,1-3H3,(H,24,25).
What are the key properties of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide?
4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-propylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 58824196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).