2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide

C24H22FN3O4S — CID 144766208

IUPAC2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)=O)c(-c3ccc(=O)n(C)c3)cc12
InChIInChI=1S/C24H22FN3O4S/c1-26-24(30)22-18-11-17(15-7-10-21(29)27(2)13-15)19(28(3)33(4)31)12-20(18)32-23(22)14-5-8-16(25)9-6-14/h5-13H,1-4H3,(H,26,30)
InChIKeySUCGBDSOXSBGLM-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.69
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide (PubChem CID 144766208) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide
PubChem CID144766208
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC Name2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)=O)c(-c3ccc(=O)n(C)c3)cc12
InChIInChI=1S/C24H22FN3O4S/c1-26-24(30)22-18-11-17(15-7-10-21(29)27(2)13-15)19(28(3)33(4)31)12-20(18)32-23(22)14-5-8-16(25)9-6-14/h5-13H,1-4H3,(H,26,30)
InChIKeySUCGBDSOXSBGLM-UHFFFAOYSA-N
XLogP3.69
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfinyl)amino]-1-benzofuran-3-carboxamide
CID 134405278
5-[3-fluoro-5-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-1-benzofuran-3-carboxamide
CID 123862230
2-(4-fluorophenyl)-5-(14-hydroxy-3,10,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfinyl)amino]-1-benzofuran-3-carboxamide
CID 144679715
5-[1-(4-fluorobenzenecarboximidoyl)-6-imino-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfanyl)amino]-1-benzofuran-3-carboxamide
CID 134405375
2-(4-fluorophenyl)-5-[3-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]-2-methyl-4-oxoquinazolin-6-yl]-N-methyl-6-[methyl(methylsulfinyl)amino]-1-benzofuran-3-carboxamide;hydrate
CID 144764004
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide
CID 71295341
5-[5-(4-ethenyl-5-methyl-1,3-oxazol-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123621620
2-(4-fluorophenyl)-N,5-dimethyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435876
5-(16-fluoro-3,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-1-benzofuran-3-carboxamide
CID 144681439
5-[6-chloro-5-(1-fluoro-2-phenylmethoxyethyl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-1-benzofuran-3-carboxamide
CID 138645520
ethane;methyl 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfinyl)amino]-1-benzofuran-5-yl]-1-methylpiperidine-3-carboxylate;methyl 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfinyl)amino]-1-benzofuran-5-yl]piperidine-3-carboxylate
CID 144763838
5-(17-fluoro-3,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-1-benzofuran-3-carboxamide
CID 138645522

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide (CID 144766208) is 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)=O)c(-c3ccc(=O)n(C)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide?
The InChIKey is SUCGBDSOXSBGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-26-24(30)22-18-11-17(15-7-10-21(29)27(2)13-15)19(28(3)33(4)31)12-20(18)32-23(22)14-5-8-16(25)9-6-14/h5-13H,1-4H3,(H,26,30).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfinyl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 144766208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).