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

C25H23FN2O5S — CID 53377871

IUPAC2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(-c3ccccc3)cc12
InChIInChI=1S/C25H23FN2O5S/c1-27-25(30)23-20-14-19(16-6-4-3-5-7-16)21(28(12-13-29)34(2,31)32)15-22(20)33-24(23)17-8-10-18(26)11-9-17/h3-11,14-15,29H,12-13H2,1-2H3,(H,27,30)
InChIKeyZQSJPXXUPFQUAY-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.02
Rot. Bonds7

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

2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide (PubChem CID 53377871) has the molecular formula C25H23FN2O5S and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
PubChem CID53377871
Molecular FormulaC25H23FN2O5S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC Name2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(-c3ccccc3)cc12
InChIInChI=1S/C25H23FN2O5S/c1-27-25(30)23-20-14-19(16-6-4-3-5-7-16)21(28(12-13-29)34(2,31)32)15-22(20)33-24(23)17-8-10-18(26)11-9-17/h3-11,14-15,29H,12-13H2,1-2H3,(H,27,30)
InChIKeyZQSJPXXUPFQUAY-UHFFFAOYSA-N
XLogP4.02
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide (CID 53377871) is 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(-c3ccccc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is ZQSJPXXUPFQUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5S/c1-27-25(30)23-20-14-19(16-6-4-3-5-7-16)21(28(12-13-29)34(2,31)32)15-22(20)33-24(23)17-8-10-18(26)11-9-17/h3-11,14-15,29H,12-13H2,1-2H3,(H,27,30).
What are the key properties of 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 53377871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).