2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C30H24FN5O4S — CID 71141993

IUPAC2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cn5cccnc5n4)c3)cc12
InChIInChI=1S/C30H24FN5O4S/c1-32-29(37)27-23-15-22(19-6-4-7-20(14-19)24-17-36-13-5-12-33-30(36)34-24)25(35(2)41(3,38)39)16-26(23)40-28(27)18-8-10-21(31)11-9-18/h4-17H,1-3H3,(H,32,37)
InChIKeyJNHNJHCDMPPXFY-UHFFFAOYSA-N
MW569.62 g/mol
LogP5.37
Rot. Bonds6

About 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 71141993) has the molecular formula C30H24FN5O4S and a molecular weight of 569.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID71141993
Molecular FormulaC30H24FN5O4S
Molecular Weight569.62 g/mol
Exact Mass569.15
IUPAC Name2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cn5cccnc5n4)c3)cc12
InChIInChI=1S/C30H24FN5O4S/c1-32-29(37)27-23-15-22(19-6-4-7-20(14-19)24-17-36-13-5-12-33-30(36)34-24)25(35(2)41(3,38)39)16-26(23)40-28(27)18-8-10-21(31)11-9-18/h4-17H,1-3H3,(H,32,37)
InChIKeyJNHNJHCDMPPXFY-UHFFFAOYSA-N
XLogP5.37
TPSA109.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.62
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 71141993) is 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-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(-c3cccc(-c4cn5cccnc5n4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is JNHNJHCDMPPXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O4S/c1-32-29(37)27-23-15-22(19-6-4-7-20(14-19)24-17-36-13-5-12-33-30(36)34-24)25(35(2)41(3,38)39)16-26(23)40-28(27)18-8-10-21(31)11-9-18/h4-17H,1-3H3,(H,32,37).
What are the key properties of 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 569.62 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71141993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).