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

C20H18BrNO5S — CID 3593665

IUPAC5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C20H18BrNO5S/c1-26-16-6-2-14(3-7-16)12-22-20(23)19-11-8-17(27-19)13-28(24,25)18-9-4-15(21)5-10-18/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyDASBKQYLFZZXBG-UHFFFAOYSA-N
MW464.34 g/mol
LogP3.95
Rot. Bonds7

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

5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 3593665) has the molecular formula C20H18BrNO5S and a molecular weight of 464.34 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID3593665
Molecular FormulaC20H18BrNO5S
Molecular Weight464.34 g/mol
Exact Mass463.01
IUPAC Name5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C20H18BrNO5S/c1-26-16-6-2-14(3-7-16)12-22-20(23)19-11-8-17(27-19)13-28(24,25)18-9-4-15(21)5-10-18/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyDASBKQYLFZZXBG-UHFFFAOYSA-N
XLogP3.95
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 5123643
N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5068893
5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4661810
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307714
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
CID 78872860
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 3593665) is 5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is DASBKQYLFZZXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO5S/c1-26-16-6-2-14(3-7-16)12-22-20(23)19-11-8-17(27-19)13-28(24,25)18-9-4-15(21)5-10-18/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of 5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 464.34 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3593665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).