5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C22H23NO5S — CID 4661810

IUPAC5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc(OC)cc2)o1
InChIInChI=1S/C22H23NO5S/c1-3-17-6-4-5-7-21(17)29(25,26)15-19-12-13-20(28-19)22(24)23-14-16-8-10-18(27-2)11-9-16/h4-13H,3,14-15H2,1-2H3,(H,23,24)
InChIKeyJYXXPQYHUBPXSF-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.75
Rot. Bonds8

About 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 4661810) has the molecular formula C22H23NO5S and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID4661810
Molecular FormulaC22H23NO5S
Molecular Weight413.50 g/mol
Exact Mass413.13
IUPAC Name5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc(OC)cc2)o1
InChIInChI=1S/C22H23NO5S/c1-3-17-6-4-5-7-21(17)29(25,26)15-19-12-13-20(28-19)22(24)23-14-16-8-10-18(27-2)11-9-16/h4-13H,3,14-15H2,1-2H3,(H,23,24)
InChIKeyJYXXPQYHUBPXSF-UHFFFAOYSA-N
XLogP3.75
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5068893
N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859683
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5307755
5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 46857856
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 4661810) is 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc(OC)cc2)o1.
What is the InChIKey of 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is JYXXPQYHUBPXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S/c1-3-17-6-4-5-7-21(17)29(25,26)15-19-12-13-20(28-19)22(24)23-14-16-8-10-18(27-2)11-9-16/h4-13H,3,14-15H2,1-2H3,(H,23,24).
What are the key properties of 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 4661810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).