2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide

C24H21FN2O4S — CID 53377987

IUPAC2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccccc3)cc12
InChIInChI=1S/C24H21FN2O4S/c1-26-24(28)22-19-13-18(15-7-5-4-6-8-15)20(27(2)32(3,29)30)14-21(19)31-23(22)16-9-11-17(25)12-10-16/h4-14H,1-3H3,(H,26,28)
InChIKeyMQNQXXZQPQBQEV-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.66
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide (PubChem CID 53377987) has the molecular formula C24H21FN2O4S and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
PubChem CID53377987
Molecular FormulaC24H21FN2O4S
Molecular Weight452.51 g/mol
Exact Mass452.12
IUPAC Name2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccccc3)cc12
InChIInChI=1S/C24H21FN2O4S/c1-26-24(28)22-19-13-18(15-7-5-4-6-8-15)20(27(2)32(3,29)30)14-21(19)31-23(22)16-9-11-17(25)12-10-16/h4-14H,1-3H3,(H,26,28)
InChIKeyMQNQXXZQPQBQEV-UHFFFAOYSA-N
XLogP4.66
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide (CID 53377987) is 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccccc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is MQNQXXZQPQBQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4S/c1-26-24(28)22-19-13-18(15-7-5-4-6-8-15)20(27(2)32(3,29)30)14-21(19)31-23(22)16-9-11-17(25)12-10-16/h4-14H,1-3H3,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 53377987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).