3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide

C21H18N2O5S — CID 86971496

IUPAC3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1
InChIInChI=1S/C21H18N2O5S/c1-2-29(25,26)19-8-4-6-17(12-19)23-21(24)20-16(9-10-27-20)14-28-18-7-3-5-15(11-18)13-22/h3-12H,2,14H2,1H3,(H,23,24)
InChIKeyPGVFXZFSQVSRPM-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.78
Rot. Bonds7

About 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide

3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide (PubChem CID 86971496) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide
PubChem CID86971496
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC Name3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1
InChIInChI=1S/C21H18N2O5S/c1-2-29(25,26)19-8-4-6-17(12-19)23-21(24)20-16(9-10-27-20)14-28-18-7-3-5-15(11-18)13-22/h3-12H,2,14H2,1H3,(H,23,24)
InChIKeyPGVFXZFSQVSRPM-UHFFFAOYSA-N
XLogP3.78
TPSA109.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide
CID 111464262
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate
CID 55750582
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55856148
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 39500037
3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile
CID 95160182
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39499806
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide (CID 86971496) is 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide is CCS(=O)(=O)c1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1.
What is the InChIKey of 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is PGVFXZFSQVSRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-2-29(25,26)19-8-4-6-17(12-19)23-21(24)20-16(9-10-27-20)14-28-18-7-3-5-15(11-18)13-22/h3-12H,2,14H2,1H3,(H,23,24).
What are the key properties of 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide?
3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 86971496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).