N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C18H16FNO5S — CID 34188198

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)oc2ccccc12
InChIInChI=1S/C18H16FNO5S/c1-24-10-13-12-5-3-4-6-16(12)25-17(13)18(21)20-15-9-11(26(2,22)23)7-8-14(15)19/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyYFLJVIQUVNVOIO-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.37
Rot. Bonds5

About N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 34188198) has the molecular formula C18H16FNO5S and a molecular weight of 377.39 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID34188198
Molecular FormulaC18H16FNO5S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)oc2ccccc12
InChIInChI=1S/C18H16FNO5S/c1-24-10-13-12-5-3-4-6-16(12)25-17(13)18(21)20-15-9-11(26(2,22)23)7-8-14(15)19/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyYFLJVIQUVNVOIO-UHFFFAOYSA-N
XLogP3.37
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-(3-acetamido-4-fluorophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 24656109
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8955015
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 30729033
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 34188198) is N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)oc2ccccc12.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is YFLJVIQUVNVOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5S/c1-24-10-13-12-5-3-4-6-16(12)25-17(13)18(21)20-15-9-11(26(2,22)23)7-8-14(15)19/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 34188198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).