5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C63H63F4N7O11S2 — CID 158994100

IUPAC5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(C3CC(C(=O)Cc4c(O)cccc4F)CN(C)C3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(C3CC(c4nc5c(F)cccc5o4)CN(C)C3)cc12
InChIInChI=1S/C32H33F2N3O6S.C31H30F2N4O5S/c1-35-32(40)30-24-13-22(19-12-20(17-36(2)16-19)28(39)14-23-25(34)6-5-7-27(23)38)26(37(3)44(4,41)42)15-29(24)43-31(30)18-8-10-21(33)11-9-18;1-34-30(38)27-22-13-21(18-12-19(16-36(2)15-18)31-35-28-23(33)6-5-7-25(28)42-31)24(37(3)43(4,39)40)14-26(22)41-29(27)17-8-10-20(32)11-9-17/h5-11,13,15,19-20,38H,12,14,16-17H2,1-4H3,(H,35,40);5-11,13-14,18-19H,12,15-16H2,1-4H3,(H,34,38)
InChIKeyJQNHLLYBZNVTHG-UHFFFAOYSA-N
MW1234.36 g/mol
LogP10.16
Rot. Bonds14

About 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 158994100) has the molecular formula C63H63F4N7O11S2 and a molecular weight of 1234.36 g/mol. Its IUPAC name is 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID158994100
Molecular FormulaC63H63F4N7O11S2
Molecular Weight1234.36 g/mol
Exact Mass1233.40
IUPAC Name5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(C3CC(C(=O)Cc4c(O)cccc4F)CN(C)C3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(C3CC(c4nc5c(F)cccc5o4)CN(C)C3)cc12
InChIInChI=1S/C32H33F2N3O6S.C31H30F2N4O5S/c1-35-32(40)30-24-13-22(19-12-20(17-36(2)16-19)28(39)14-23-25(34)6-5-7-27(23)38)26(37(3)44(4,41)42)15-29(24)43-31(30)18-8-10-21(33)11-9-18;1-34-30(38)27-22-13-21(18-12-19(16-36(2)15-18)31-35-28-23(33)6-5-7-25(28)42-31)24(37(3)43(4,39)40)14-26(22)41-29(27)17-8-10-20(32)11-9-17/h5-11,13,15,19-20,38H,12,14,16-17H2,1-4H3,(H,35,40);5-11,13-14,18-19H,12,15-16H2,1-4H3,(H,34,38)
InChIKeyJQNHLLYBZNVTHG-UHFFFAOYSA-N
XLogP10.16
TPSA229.05 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001234.36
LogP ≤ 510.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-[5-(hydroxymethyl)-1-methylpiperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123336805
2-(4-fluorophenyl)-5-[(1S)-3-[2-(4-fluorophenyl)acetyl]cyclohexyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 121360237
2-(4-fluorophenyl)-5-[(1R)-3-[2-(4-fluorophenyl)acetyl]cyclohexyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 121360236
5-[(3R)-1-(4-fluoro-1-methylindol-2-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87054989
2-(4-fluorophenyl)-5-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 121356422
5-[(3R)-1-(1-benzofuran-2-ylsulfonyl)piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87055973
5-[(3R)-1-(7-fluoro-1H-indol-2-yl)piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87056050
2-(4-fluorophenyl)-5-[(3S)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87056136
5-[(3R)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 121356522
5-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 121356515
2-(4-fluorophenyl)-N,5-dimethyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435876
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-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 158994100) is 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(C3CC(C(=O)Cc4c(O)cccc4F)CN(C)C3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(C3CC(c4nc5c(F)cccc5o4)CN(C)C3)cc12.
What is the InChIKey of 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is JQNHLLYBZNVTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N3O6S.C31H30F2N4O5S/c1-35-32(40)30-24-13-22(19-12-20(17-36(2)16-19)28(39)14-23-25(34)6-5-7-27(23)38)26(37(3)44(4,41)42)15-29(24)43-31(30)18-8-10-21(33)11-9-18;1-34-30(38)27-22-13-21(18-12-19(16-36(2)15-18)31-35-28-23(33)6-5-7-25(28)42-31)24(37(3)43(4,39)40)14-26(22)41-29(27)17-8-10-20(32)11-9-17/h5-11,13,15,19-20,38H,12,14,16-17H2,1-4H3,(H,35,40);5-11,13-14,18-19H,12,15-16H2,1-4H3,(H,34,38).
What are the key properties of 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 1234.36 g/mol, XLogP of 10.16, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-[2-(2-fluoro-6-hydroxyphenyl)acetyl]-1-methylpiperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 158994100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).