5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide

C21H23FN2O5S — CID 69420976

IUPAC5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2c1N(CCO)S(C)(=O)=O
InChIInChI=1S/C21H23FN2O5S/c1-4-13-7-10-16-17(19(13)24(11-12-25)30(3,27)28)18(21(26)23-2)20(29-16)14-5-8-15(22)9-6-14/h5-10,25H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyFHXJSKZCHZNJCR-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.92
Rot. Bonds7

About 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide

5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 69420976) has the molecular formula C21H23FN2O5S and a molecular weight of 434.49 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID69420976
Molecular FormulaC21H23FN2O5S
Molecular Weight434.49 g/mol
Exact Mass434.13
IUPAC Name5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2c1N(CCO)S(C)(=O)=O
InChIInChI=1S/C21H23FN2O5S/c1-4-13-7-10-16-17(19(13)24(11-12-25)30(3,27)28)18(21(26)23-2)20(29-16)14-5-8-15(22)9-6-14/h5-10,25H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyFHXJSKZCHZNJCR-UHFFFAOYSA-N
XLogP2.92
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-6-[3-hydroxypropyl(methylsulfonyl)amino]-N,5-dimethyl-1-benzofuran-3-carboxamide
CID 123179356
2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(propyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378086
carbamoyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-1-benzofuran-3-carboxylate
CID 91295499
4-[2-[3-(3-acetylphenyl)propoxy]ethyl-methylsulfonylamino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 142799976
2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(prop-2-enyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378508
ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide
CID 145056932
2-(4-fluorophenyl)-N,5-dimethyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435876
2-(4-fluorophenyl)-7-(hydroxymethyl)-N-methyl-5-[methyl(methylsulfonyl)amino]-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
CID 25095863
2-(4-fluorophenyl)-N-methyl-6-[3-methylbutyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378190
2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-methoxy-1-benzofuran-3-carboxylic acid
CID 91485078
6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
(4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide
CID 138497011

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide (CID 69420976) is 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide is CCc1ccc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2c1N(CCO)S(C)(=O)=O.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is FHXJSKZCHZNJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5S/c1-4-13-7-10-16-17(19(13)24(11-12-25)30(3,27)28)18(21(26)23-2)20(29-16)14-5-8-15(22)9-6-14/h5-10,25H,4,11-12H2,1-3H3,(H,23,26).
What are the key properties of 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide?
5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 69420976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).