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

C30H27FN4O6S — CID 123621620

IUPAC5-[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
SMILESC=Cc1nc(-c2cc(-c3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4cc3N(C)S(C)(=O)=O)cn(C)c2=O)oc1C
InChIInChI=1S/C30H27FN4O6S/c1-7-23-16(2)40-29(33-23)22-12-18(15-34(4)30(22)37)20-13-21-25(14-24(20)35(5)42(6,38)39)41-27(26(21)28(36)32-3)17-8-10-19(31)11-9-17/h7-15H,1H2,2-6H3,(H,32,36)
InChIKeyFZVLMSRFFJYWLS-UHFFFAOYSA-N
MW590.63 g/mol
LogP4.97
Rot. Bonds7

About 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

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 (PubChem CID 123621620) has the molecular formula C30H27FN4O6S and a molecular weight of 590.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID123621620
Molecular FormulaC30H27FN4O6S
Molecular Weight590.63 g/mol
Exact Mass590.16
IUPAC Name5-[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
SMILESC=Cc1nc(-c2cc(-c3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4cc3N(C)S(C)(=O)=O)cn(C)c2=O)oc1C
InChIInChI=1S/C30H27FN4O6S/c1-7-23-16(2)40-29(33-23)22-12-18(15-34(4)30(22)37)20-13-21-25(14-24(20)35(5)42(6,38)39)41-27(26(21)28(36)32-3)17-8-10-19(31)11-9-17/h7-15H,1H2,2-6H3,(H,32,36)
InChIKeyFZVLMSRFFJYWLS-UHFFFAOYSA-N
XLogP4.97
TPSA127.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(6-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 53465225
2-(4-fluorophenyl)-N-methyl-5-[2-(2-methylbut-2-enyl)-1-oxoisoquinolin-7-yl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123352243
2-(4-fluorophenyl)-N,5-dimethyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435876
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
2-[5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-2-methoxyphenyl]-N-methyl-1,3-benzoxazole-5-carboxamide
CID 67395305
5-[3,4-dimethoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 53464896
2-(4-fluorophenyl)-N-methyl-5-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 53465078
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-(1-oxoisoquinolin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71141984
2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435990
2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89434418
5-[5-(1-benzofuran-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71510925
5-[4-(1-cyanocyclopropyl)-3-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123687950

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1nc(-c2cc(-c3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4cc3N(C)S(C)(=O)=O)cn(C)c2=O)oc1C.
What is the InChIKey of 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?
The InChIKey is FZVLMSRFFJYWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O6S/c1-7-23-16(2)40-29(33-23)22-12-18(15-34(4)30(22)37)20-13-21-25(14-24(20)35(5)42(6,38)39)41-27(26(21)28(36)32-3)17-8-10-19(31)11-9-17/h7-15H,1H2,2-6H3,(H,32,36).
What are the key properties of 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?
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 has a molecular weight of 590.63 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123621620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).