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

C21H21NO6S — CID 18444628

IUPAC4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(OCc3cc(C(=O)NS(C)(=O)=O)oc3C)cc2)cc1
InChIInChI=1S/C21H21NO6S/c1-14-17(12-20(28-14)21(23)22-29(3,24)25)13-27-19-10-6-16(7-11-19)15-4-8-18(26-2)9-5-15/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyFCBOMMXGDNXQJK-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.53
Rot. Bonds7

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

4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide (PubChem CID 18444628) has the molecular formula C21H21NO6S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide
PubChem CID18444628
Molecular FormulaC21H21NO6S
Molecular Weight415.47 g/mol
Exact Mass415.11
IUPAC Name4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(OCc3cc(C(=O)NS(C)(=O)=O)oc3C)cc2)cc1
InChIInChI=1S/C21H21NO6S/c1-14-17(12-20(28-14)21(23)22-29(3,24)25)13-27-19-10-6-16(7-11-19)15-4-8-18(26-2)9-5-15/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyFCBOMMXGDNXQJK-UHFFFAOYSA-N
XLogP3.53
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.53
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-methylsulfonylfuran-2-carboxamide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide (CID 18444628) is 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide is COc1ccc(-c2ccc(OCc3cc(C(=O)NS(C)(=O)=O)oc3C)cc2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide?
The InChIKey is FCBOMMXGDNXQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6S/c1-14-17(12-20(28-14)21(23)22-29(3,24)25)13-27-19-10-6-16(7-11-19)15-4-8-18(26-2)9-5-15/h4-12H,13H2,1-3H3,(H,22,23).
What are the key properties of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide?
4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-methylsulfonylfuran-2-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 3.53, 7 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-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 18444628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).