N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide

C19H17FN2O5S — CID 43050364

IUPACN-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)c2ccc(COc3ccccc3)o2)ccc1F
InChIInChI=1S/C19H17FN2O5S/c1-28(24,25)22-17-11-13(7-9-16(17)20)21-19(23)18-10-8-15(27-18)12-26-14-5-3-2-4-6-14/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyWXWQEMRRGUAGNU-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.62
Rot. Bonds7

About N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide

N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 43050364) has the molecular formula C19H17FN2O5S and a molecular weight of 404.42 g/mol. Its IUPAC name is N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID43050364
Molecular FormulaC19H17FN2O5S
Molecular Weight404.42 g/mol
Exact Mass404.08
IUPAC NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)c2ccc(COc3ccccc3)o2)ccc1F
InChIInChI=1S/C19H17FN2O5S/c1-28(24,25)22-17-11-13(7-9-16(17)20)21-19(23)18-10-8-15(27-18)12-26-14-5-3-2-4-6-14/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyWXWQEMRRGUAGNU-UHFFFAOYSA-N
XLogP3.62
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 39213699
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide
CID 39995738
5-(phenoxymethyl)-N-(3-sulfamoylphenyl)furan-2-carboxamide
CID 9413056
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 31289277
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
N-(2-fluoro-5-methylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467243
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide (CID 43050364) is N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide is CS(=O)(=O)Nc1cc(NC(=O)c2ccc(COc3ccccc3)o2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is WXWQEMRRGUAGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5S/c1-28(24,25)22-17-11-13(7-9-16(17)20)21-19(23)18-10-8-15(27-18)12-26-14-5-3-2-4-6-14/h2-11,22H,12H2,1H3,(H,21,23).
What are the key properties of N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 43050364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).