N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C18H16FNO4S — CID 55613510

IUPACN-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H16FNO4S/c1-3-25(22,23)16-7-5-4-6-14(16)20-18(21)17-11(2)13-10-12(19)8-9-15(13)24-17/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyAHVNOIPUNJRTQA-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.93
Rot. Bonds4

About N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55613510) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55613510
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC NameN-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H16FNO4S/c1-3-25(22,23)16-7-5-4-6-14(16)20-18(21)17-11(2)13-10-12(19)8-9-15(13)24-17/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyAHVNOIPUNJRTQA-UHFFFAOYSA-N
XLogP3.93
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide
CID 35328950
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344702
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 108793591
2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828740
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 55613510) is N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCS(=O)(=O)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AHVNOIPUNJRTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/c1-3-25(22,23)16-7-5-4-6-14(16)20-18(21)17-11(2)13-10-12(19)8-9-15(13)24-17/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55613510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).