2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide

C21H19FN2O4S — CID 146090637

IUPAC2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ncccc3S(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C21H19FN2O4S/c1-28-16-8-5-14(6-9-16)15-7-10-17(18(22)12-15)21(25)24-13-19-20(29(2,26)27)4-3-11-23-19/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyUUSMSLZNGHKPIT-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.23
Rot. Bonds6

About 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide

2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide (PubChem CID 146090637) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide
PubChem CID146090637
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ncccc3S(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C21H19FN2O4S/c1-28-16-8-5-14(6-9-16)15-7-10-17(18(22)12-15)21(25)24-13-19-20(29(2,26)27)4-3-11-23-19/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyUUSMSLZNGHKPIT-UHFFFAOYSA-N
XLogP3.23
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide 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-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide (CID 146090637) is 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide is COc1ccc(-c2ccc(C(=O)NCc3ncccc3S(C)(=O)=O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide?
The InChIKey is UUSMSLZNGHKPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-28-16-8-5-14(6-9-16)15-7-10-17(18(22)12-15)21(25)24-13-19-20(29(2,26)27)4-3-11-23-19/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide?
2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxyphenyl)-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 146090637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).