5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide

C20H19NO5S — CID 32638148

IUPAC5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C20H19NO5S/c1-25-13-15-6-5-7-16(12-15)21-20(22)19-11-10-17(26-19)14-27(23,24)18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyAZHVAHFOEKTKQA-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.65
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide (PubChem CID 32638148) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
PubChem CID32638148
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C20H19NO5S/c1-25-13-15-6-5-7-16(12-15)21-20(22)19-11-10-17(26-19)14-27(23,24)18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyAZHVAHFOEKTKQA-UHFFFAOYSA-N
XLogP3.65
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide
CID 55807041
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 33098918
5-(phenoxymethyl)-N-(3-sulfamoylphenyl)furan-2-carboxamide
CID 9413056
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 26736329
5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 26696587
5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55660876
5-ethyl-N-[3-(sulfamoylmethyl)phenyl]furan-2-carboxamide
CID 60610670
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55488951

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide (CID 32638148) is 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide is COCc1cccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide?
The InChIKey is AZHVAHFOEKTKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-25-13-15-6-5-7-16(12-15)21-20(22)19-11-10-17(26-19)14-27(23,24)18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 32638148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).